 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895305/Gau-209427.inp" -scrdir="/scratch/9895305/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    209428.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer02_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393451555 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0189978020 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1696
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.11D-09
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =      98
 GePol: Fraction of low-weight points (<1% of avg)   =       5.78%
 GePol: Cavity surface area                          =    226.592 Ang**2
 GePol: Cavity volume                                =    233.428 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.43D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8629248.
 Iteration    1 A*A^-1 deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.22D-15 for   1695   1062.
 Iteration    1 A^-1*A deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.20D-15 for   1655   1386.
 E= -686.777119686115    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.777119686115     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-02 BMatP= 1.65D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.301 Goal=   None    Shift=    0.000
 GapD=    0.301 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.22D-03 MaxDP=3.29D-01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.19D-03    CP:  1.04D+00
 E= -686.792458315175     Delta-E=       -0.015338629060 Rises=F Damp=F
 DIIS: error= 7.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.792458315175     IErMin= 2 ErrMin= 7.18D-04
 ErrMax= 7.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-03 BMatP= 1.65D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.18D-03
 Coeff-Com:  0.955D-01 0.905D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.948D-01 0.905D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=3.42D-04 MaxDP=1.56D-02 DE=-1.53D-02 OVMax= 8.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.83D-04    CP:  1.04D+00  1.03D+00
 E= -686.792099420361     Delta-E=        0.000358894814 Rises=F Damp=F
 DIIS: error= 1.06D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.792458315175     IErMin= 2 ErrMin= 7.18D-04
 ErrMax= 1.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-03 BMatP= 1.28D-03
 IDIUse=3 WtCom= 2.35D-01 WtEn= 7.65D-01
 Coeff-Com: -0.189D-01 0.555D+00 0.464D+00
 Coeff-En:   0.000D+00 0.568D+00 0.432D+00
 Coeff:     -0.445D-02 0.565D+00 0.440D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=1.60D-04 MaxDP=8.73D-03 DE= 3.59D-04 OVMax= 4.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.25D-04    CP:  1.04D+00  1.04D+00  7.17D-01
 E= -686.793446650464     Delta-E=       -0.001347230103 Rises=F Damp=F
 DIIS: error= 1.20D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.793446650464     IErMin= 4 ErrMin= 1.20D-04
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-05 BMatP= 1.28D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.20D-03
 Coeff-Com: -0.119D-01 0.267D+00 0.223D+00 0.522D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.119D-01 0.267D+00 0.223D+00 0.523D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=3.80D-05 MaxDP=1.75D-03 DE=-1.35D-03 OVMax= 6.23D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.51D-05    CP:  1.04D+00  1.04D+00  7.03D-01  9.57D-01
 E= -686.793465018323     Delta-E=       -0.000018367860 Rises=F Damp=F
 DIIS: error= 2.51D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.793465018323     IErMin= 5 ErrMin= 2.51D-05
 ErrMax= 2.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-07 BMatP= 1.96D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-02 0.115D-01 0.108D-01 0.141D+00 0.838D+00
 Coeff:     -0.122D-02 0.115D-01 0.108D-01 0.141D+00 0.838D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=8.06D-06 MaxDP=3.21D-04 DE=-1.84D-05 OVMax= 1.33D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.80D-06    CP:  1.04D+00  1.04D+00  7.17D-01  9.89D-01  9.39D-01
 E= -686.793465551244     Delta-E=       -0.000000532921 Rises=F Damp=F
 DIIS: error= 4.75D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.793465551244     IErMin= 6 ErrMin= 4.75D-06
 ErrMax= 4.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-08 BMatP= 5.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.333D-04-0.543D-02-0.403D-02 0.328D-01 0.334D+00 0.642D+00
 Coeff:     -0.333D-04-0.543D-02-0.403D-02 0.328D-01 0.334D+00 0.642D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=2.02D-06 MaxDP=5.79D-05 DE=-5.33D-07 OVMax= 3.62D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.47D-06    CP:  1.04D+00  1.04D+00  7.17D-01  9.94D-01  9.61D-01
                    CP:  8.01D-01
 E= -686.793465586485     Delta-E=       -0.000000035241 Rises=F Damp=F
 DIIS: error= 2.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.793465586485     IErMin= 7 ErrMin= 2.44D-06
 ErrMax= 2.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-08 BMatP= 5.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-03-0.420D-02-0.341D-02 0.197D-02 0.943D-01 0.359D+00
 Coeff-Com:  0.552D+00
 Coeff:      0.123D-03-0.420D-02-0.341D-02 0.197D-02 0.943D-01 0.359D+00
 Coeff:      0.552D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=5.48D-07 MaxDP=2.18D-05 DE=-3.52D-08 OVMax= 1.38D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.45D-07    CP:  1.04D+00  1.04D+00  7.18D-01  9.95D-01  9.65D-01
                    CP:  8.36D-01  8.92D-01
 E= -686.793465595136     Delta-E=       -0.000000008651 Rises=F Damp=F
 DIIS: error= 5.13D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.793465595136     IErMin= 8 ErrMin= 5.13D-07
 ErrMax= 5.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.22D-10 BMatP= 1.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.555D-04-0.160D-02-0.134D-02-0.111D-02 0.248D-01 0.135D+00
 Coeff-Com:  0.266D+00 0.578D+00
 Coeff:      0.555D-04-0.160D-02-0.134D-02-0.111D-02 0.248D-01 0.135D+00
 Coeff:      0.266D+00 0.578D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=1.55D-07 MaxDP=4.64D-06 DE=-8.65D-09 OVMax= 4.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.04D+00  1.04D+00  7.18D-01  9.96D-01  9.63D-01
                    CP:  8.42D-01  8.88D-01  9.08D-01
 E= -686.793465595516     Delta-E=       -0.000000000380 Rises=F Damp=F
 DIIS: error= 1.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.793465595516     IErMin= 9 ErrMin= 1.51D-07
 ErrMax= 1.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-11 BMatP= 5.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.736D-05-0.107D-03-0.109D-03-0.846D-03-0.266D-02 0.816D-02
 Coeff-Com:  0.396D-01 0.272D+00 0.684D+00
 Coeff:      0.736D-05-0.107D-03-0.109D-03-0.846D-03-0.266D-02 0.816D-02
 Coeff:      0.396D-01 0.272D+00 0.684D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=5.15D-08 MaxDP=1.49D-06 DE=-3.80D-10 OVMax= 1.20D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.23D-08    CP:  1.04D+00  1.04D+00  7.18D-01  9.96D-01  9.63D-01
                    CP:  8.46D-01  8.96D-01  9.19D-01  8.65D-01
 E= -686.793465595601     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 3.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.793465595601     IErMin=10 ErrMin= 3.76D-08
 ErrMax= 3.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-12 BMatP= 5.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.776D-06 0.261D-04 0.147D-04-0.357D-03-0.248D-02-0.259D-02
 Coeff-Com:  0.590D-02 0.982D-01 0.315D+00 0.586D+00
 Coeff:      0.776D-06 0.261D-04 0.147D-04-0.357D-03-0.248D-02-0.259D-02
 Coeff:      0.590D-02 0.982D-01 0.315D+00 0.586D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=3.42D-07 DE=-8.48D-11 OVMax= 3.03D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.19D-09    CP:  1.04D+00  1.04D+00  7.18D-01  9.96D-01  9.64D-01
                    CP:  8.45D-01  8.99D-01  9.27D-01  8.75D-01  8.56D-01
 E= -686.793465595559     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 1.83D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.793465595601     IErMin=11 ErrMin= 1.83D-08
 ErrMax= 1.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-13 BMatP= 3.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.238D-06 0.245D-04 0.190D-04-0.114D-03-0.110D-02-0.233D-02
 Coeff-Com: -0.101D-02 0.264D-01 0.105D+00 0.346D+00 0.527D+00
 Coeff:     -0.238D-06 0.245D-04 0.190D-04-0.114D-03-0.110D-02-0.233D-02
 Coeff:     -0.101D-02 0.264D-01 0.105D+00 0.346D+00 0.527D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=3.95D-09 MaxDP=1.44D-07 DE= 4.25D-11 OVMax= 1.09D-07

 Error on total polarization charges =  0.01592
 SCF Done:  E(RB3LYP) =  -686.793465596     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0093
 KE= 6.804314672421D+02 PE=-3.260272731185D+03 EE= 1.067028800546D+03
 Leave Link  502 at Wed Mar 16 19:15:40 2022, MaxMem=  5368709120 cpu:             833.3 elap:             104.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.48409782D+02

 Leave Link  801 at Wed Mar 16 19:15:40 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8629248.
 Iteration    1 A*A^-1 deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.22D-15 for   1695   1062.
 Iteration    1 A^-1*A deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.20D-15 for   1655   1386.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.26D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 2.04D-01 4.99D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.45D-02 2.81D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 4.15D-03 9.27D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 8.73D-04 3.41D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.73D-05 8.26D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 6.82D-07 9.99D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 1.55D-08 1.13D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 3.90D-10 2.12D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 6.30D-12 2.56D-07.
      2 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 5.09D-14 2.62D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.121395D+03
      2  0.157672D+01  0.116809D+03
      3  0.245995D+00 -0.270481D+00  0.973811D+02
 Isotropic polarizability for W=    0.088559      111.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.306208D+02 -0.167545D+02 -0.959531D+01
      2  -0.256849D+02  0.187197D+02  0.570250D+01
      3  -0.493595D+01 -0.196520D+01  0.389281D+01
      4   0.103348D+01 -0.623217D+01 -0.917476D+00
      5  -0.555165D+01  0.392443D+00  0.129254D+02
      6  -0.548854D+01  0.541096D+01  0.546759D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.108544D+01 -0.360678D+01 -0.361788D+01
      2  -0.302709D+01  0.106745D+01  0.708312D+01
      3   0.115286D+02 -0.125365D+02 -0.319440D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.130992D+01 -0.291539D+00 -0.743279D+01
      2  -0.404366D+01  0.457106D+01  0.178613D+02
      3   0.177880D+02 -0.194527D+02 -0.588098D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.735993D+00  0.111657D+01 -0.683271D+00
      2   0.111657D+01  0.882879D-01  0.116443D+01
      3  -0.683271D+00  0.116443D+01 -0.393800D+00
 OR G Eigenvalues:    -2.3320     0.1103     1.1803  Iso=     0.3472
 Eigenvectors:
   (1)   0.623546  -0.553356   0.552256
   (2)   0.717368   0.124187  -0.685537
   (3)   0.310763   0.823635   0.474396
 w=    0.088559 a.u., Optical Rotation Beta=      0.3472 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       97.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 4.07D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     196
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.82D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.96D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 2.05D-01 3.79D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.63D-03 6.32D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 3.57D-05 4.81D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 2.29D-07 5.30D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 7.25D-10 2.62D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.14D-12 1.45D-07.
     11 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 9.75D-15 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.30D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.30D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121395D+03  0.157672D+01  0.245995D+00
      2   0.157672D+01  0.116809D+03 -0.270481D+00
      3   0.245995D+00 -0.270481D+00  0.973811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.108544D+01 -0.360678D+01 -0.361788D+01
      2  -0.302709D+01  0.106745D+01  0.708312D+01
      3   0.115286D+02 -0.125365D+02 -0.319440D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.306208D+02 -0.167545D+02 -0.959531D+01
      2  -0.256849D+02  0.187197D+02  0.570250D+01
      3  -0.493595D+01 -0.196520D+01  0.389281D+01
      4   0.103348D+01 -0.623217D+01 -0.917476D+00
      5  -0.555165D+01  0.392443D+00  0.129254D+02
      6  -0.548854D+01  0.541096D+01  0.546759D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.279375D+01 -0.273971D+01 -0.118350D+01 -0.325324D+01  0.323894D+01
      2  -0.273971D+01  0.398419D+01  0.256061D+00  0.323894D+01  0.902458D-01
      3  -0.118350D+01  0.256061D+00 -0.988688D+00  0.411279D+00 -0.113742D+01
                 6             7             8             9            10 
      1   0.411279D+00 -0.169512D+01  0.821794D+00  0.784951D-01  0.437395D+01
      2  -0.113742D+01  0.821794D+00 -0.199475D+01 -0.812727D+00  0.234017D+01
      3   0.711951D+00  0.784951D-01 -0.812727D+00  0.113599D+02  0.152489D+01
                11            12            13            14            15 
      1   0.234017D+01  0.152489D+01  0.229584D+01 -0.291018D+01 -0.253405D+00
      2  -0.193937D+01 -0.190325D-01 -0.291018D+01 -0.159080D+01  0.703779D+00
      3  -0.190325D-01 -0.190121D+01 -0.253405D+00  0.703779D+00  0.589737D+00
                16            17            18            19            20 
      1   0.304418D+01 -0.164709D+00  0.153362D+00  0.254650D+01  0.246842D+01
      2  -0.164709D+00  0.919060D+00  0.536129D+00  0.246842D+01 -0.336296D+01
      3   0.153362D+00  0.536129D+00 -0.114058D+02  0.102034D+01  0.197891D+00
                21            22            23            24            25 
      1   0.102034D+01  0.179787D+01 -0.421409D+01 -0.485894D-01  0.145655D+01
      2   0.197891D+00 -0.421409D+01 -0.242698D+01  0.132393D+01  0.551533D+00
      3   0.468425D+00 -0.485894D-01  0.132393D+01  0.152003D+01 -0.273112D+00
                26            27            28            29            30 
      1   0.551533D+00 -0.273112D+00 -0.227811D+01 -0.169965D+00 -0.106891D+01
      2   0.265767D+01  0.304374D+00 -0.169965D+00  0.373695D+01 -0.300853D+00
      3   0.304374D+00 -0.111597D+02 -0.106891D+01 -0.300853D+00 -0.441692D+00
                31            32            33            34            35 
      1   0.847584D+00  0.493422D+01  0.729160D+00 -0.178691D+01  0.168114D+00
      2   0.493422D+01  0.289104D+01 -0.116846D+01  0.168114D+00 -0.189643D+01
      3   0.729160D+00 -0.116846D+01 -0.979584D+00 -0.589749D+00  0.147575D+00
                36            37            38            39            40 
      1  -0.589749D+00  0.697050D+01 -0.254352D+00  0.775018D+00 -0.178565D+01
      2   0.147575D+00 -0.254352D+00 -0.223043D+00 -0.797709D+00 -0.840770D+00
      3   0.114166D+02  0.775018D+00 -0.797709D+00 -0.414489D+00 -0.477157D+00
                41            42            43            44            45 
      1  -0.840770D+00 -0.477157D+00  0.345818D+01  0.695725D+00  0.565394D+00
      2  -0.530697D+01  0.857799D+00  0.695725D+00  0.229308D+01 -0.794627D+00
      3   0.857799D+00  0.811563D+00  0.565394D+00 -0.794627D+00 -0.167347D+01
                46            47            48            49            50 
      1  -0.404338D+01 -0.346573D+01 -0.646301D+00 -0.151985D+01  0.244890D+01
      2  -0.346573D+01  0.122223D+01  0.110125D+01  0.244890D+01  0.174049D+01
      3  -0.646301D+00  0.110125D+01  0.576718D+00  0.569223D-01 -0.217584D+00
                51            52            53            54            55 
      1   0.569223D-01 -0.263596D+01  0.133094D+00  0.314000D+00  0.388673D+01
      2  -0.217584D+00  0.133094D+00 -0.182098D+01  0.596659D+00  0.249642D+01
      3  -0.254092D+01  0.314000D+00  0.596659D+00  0.109544D+02  0.176977D+01
                56            57            58            59            60 
      1   0.249642D+01  0.176977D+01  0.375279D+01 -0.337105D+01 -0.126880D+00
      2  -0.159569D+01 -0.129312D-01 -0.337105D+01  0.780546D+01  0.127918D+01
      3  -0.129312D-01  0.138865D+01 -0.126880D+00  0.127918D+01 -0.257071D+00
                61            62            63            64            65 
      1   0.349784D+01 -0.123373D+01 -0.854435D+00  0.533714D+00  0.388289D+00
      2  -0.123373D+01  0.264699D+01  0.176219D+01  0.388289D+00 -0.716709D+00
      3  -0.854435D+00  0.176219D+01  0.132886D+00 -0.109380D+01  0.563212D-01
                66            67            68            69            70 
      1  -0.109380D+01  0.586072D+00 -0.590836D+00  0.889048D-01 -0.224117D+01
      2   0.563212D-01 -0.590836D+00  0.400761D-01 -0.119068D+01  0.170060D+00
      3   0.179367D-01  0.889048D-01 -0.119068D+01  0.395913D+00 -0.494926D+00
                71            72            73            74            75 
      1   0.170060D+00 -0.494926D+00 -0.933757D+01 -0.215065D+00 -0.122871D+01
      2  -0.211296D+01  0.844144D+00 -0.215065D+00  0.896987D+00 -0.215049D+00
      3   0.844144D+00 -0.967281D+01 -0.122871D+01 -0.215049D+00  0.109393D+01
                76            77            78            79            80 
      1   0.337094D+01  0.973028D+00  0.140951D+00 -0.337623D+01 -0.736721D+00
      2   0.973028D+00  0.525322D+01 -0.122709D+01 -0.736721D+00 -0.170149D+01
      3   0.140951D+00 -0.122709D+01  0.119336D+01 -0.182543D+01 -0.179929D+00
                81            82            83            84            85 
      1  -0.182543D+01 -0.781848D+00 -0.390551D+00  0.118870D+01 -0.440608D+00
      2  -0.179929D+00 -0.390551D+00  0.468411D+00  0.380191D-01  0.485647D+00
      3  -0.122475D+00  0.118870D+01  0.380191D-01 -0.214608D-01  0.344899D-01
                86            87            88            89            90 
      1   0.485647D+00  0.344899D-01  0.212663D+01  0.212791D+00 -0.625460D+00
      2   0.179741D+00  0.121824D+01  0.212791D+00  0.205583D+01 -0.545896D+00
      3   0.121824D+01 -0.517133D+00 -0.625460D+00 -0.545896D+00  0.977781D+01
                91            92            93            94            95 
      1  -0.215741D+00 -0.508326D+00  0.111907D+01 -0.345346D+00  0.680284D+00
      2  -0.508326D+00  0.626604D+00  0.466107D-01  0.680284D+00  0.502699D+00
      3   0.111907D+01  0.466107D-01  0.700948D-01  0.919337D-01  0.119655D+01
                96            97            98            99           100 
      1   0.919337D-01  0.216240D+01 -0.867191D-01  0.351860D+00  0.476352D+01
      2   0.119655D+01 -0.867191D-01  0.218861D+01  0.510318D+00  0.727683D+00
      3   0.327061D-01  0.351860D+00  0.510318D+00  0.985191D+01 -0.116070D+01
               101           102           103           104           105 
      1   0.727683D+00 -0.116070D+01 -0.460689D+00  0.484484D+01  0.187352D+00
      2   0.659354D+01  0.365646D-01  0.484484D+01  0.318469D+01 -0.104643D+01
      3   0.365646D-01  0.447279D+00  0.187352D+00 -0.104643D+01 -0.142772D+01
               106           107           108           109           110 
      1  -0.148195D+01 -0.332497D+00  0.100668D+01  0.271171D+01  0.209588D+00
      2  -0.332497D+00 -0.305839D+01  0.143518D+01  0.209588D+00 -0.305723D+01
      3   0.100668D+01  0.143518D+01  0.256416D-01  0.195084D+01  0.468243D+00
               111           112           113           114           115 
      1   0.195084D+01  0.637047D+00 -0.528666D+01  0.894378D-01  0.282674D+01
      2   0.468243D+00 -0.528666D+01 -0.382902D+01  0.157081D+01 -0.161971D+00
      3   0.146395D+01  0.894378D-01  0.157081D+01 -0.880873D+00 -0.102148D+01
               116           117           118           119           120 
      1  -0.161971D+00 -0.102148D+01  0.120118D+01  0.284033D+00 -0.123346D+01
      2   0.193809D+01 -0.169136D+01  0.284033D+00 -0.413550D+00  0.672965D-01
      3  -0.169136D+01 -0.988595D+01 -0.123346D+01  0.672965D-01  0.802517D+00
               121           122           123           124           125 
      1   0.186466D+00 -0.496954D+00 -0.344420D+00 -0.255261D+01 -0.264882D+00
      2  -0.496954D+00 -0.112783D-01 -0.119892D+01 -0.264882D+00 -0.199408D+01
      3  -0.344420D+00 -0.119892D+01  0.197004D+00  0.132231D+01  0.286127D+00
               126           127           128           129           130 
      1   0.132231D+01 -0.141492D+01 -0.182680D+01  0.313543D+00 -0.195658D+01
      2   0.286127D+00 -0.182680D+01 -0.148380D+01  0.243325D+00 -0.175158D+01
      3  -0.972414D+01  0.313543D+00  0.243325D+00 -0.458259D+00 -0.104106D+00
               131           132           133           134           135 
      1  -0.175158D+01 -0.104106D+00 -0.205569D+00 -0.723632D-01 -0.411616D+00
      2  -0.980849D+01 -0.340749D+00 -0.723632D-01 -0.214518D+01  0.719940D+00
      3  -0.340749D+00  0.149756D+01 -0.411616D+00  0.719940D+00 -0.680373D+01
               136           137           138           139           140 
      1   0.169218D+00  0.146031D+00 -0.133408D+01  0.127964D+00 -0.519889D+00
      2   0.146031D+00 -0.335623D+00 -0.248012D+00 -0.519889D+00 -0.112812D+01
      3  -0.133408D+01 -0.248012D+00 -0.191415D+00 -0.157779D-01 -0.117462D+01
               141           142           143           144           145 
      1  -0.157779D-01 -0.219265D+01 -0.560509D+00 -0.587221D+00 -0.985878D+01
      2  -0.117462D+01 -0.560509D+00 -0.217019D+01 -0.182387D+01  0.174906D+01
      3  -0.420964D+00 -0.587221D+00 -0.182387D+01 -0.974237D+01 -0.676509D+00
               146           147           148           149           150 
      1   0.174906D+01 -0.676509D+00 -0.118647D+00 -0.602908D+00 -0.871728D-01
      2  -0.241683D+01 -0.130181D+00 -0.602908D+00  0.109461D+00 -0.217932D+00
      3  -0.130181D+00 -0.170747D+01 -0.871728D-01 -0.217932D+00  0.272627D+00
               151           152           153           154           155 
      1  -0.194994D+01  0.259111D+00 -0.872576D+00 -0.277231D+01 -0.207647D+01
      2   0.259111D+00 -0.601164D+00  0.247585D+00 -0.207647D+01 -0.262346D+01
      3  -0.872576D+00  0.247585D+00 -0.142951D+00  0.108710D+00  0.125748D-01
               156           157           158           159           160 
      1   0.108710D+00 -0.491282D+01 -0.337652D+01 -0.143719D+00  0.716367D+00
      2   0.125748D-01 -0.337652D+01 -0.666358D+01  0.349983D+00  0.394677D+00
      3  -0.936205D+00 -0.143719D+00  0.349983D+00 -0.133112D+01 -0.556750D+00
               161           162           163           164           165 
      1   0.394677D+00 -0.556750D+00 -0.249229D+01  0.154119D+01  0.323855D+00
      2   0.868478D+00 -0.512677D+00  0.154119D+01 -0.447619D+01 -0.472324D-01
      3  -0.512677D+00 -0.222400D-01  0.323855D+00 -0.472324D-01 -0.601522D+00
               166           167           168           169           170 
      1   0.228558D+01 -0.169643D+01 -0.176246D+00  0.486049D+00 -0.260167D+00
      2  -0.169643D+01  0.757700D+01  0.172672D+00 -0.260167D+00  0.926630D+00
      3  -0.176246D+00  0.172672D+00  0.150122D+01 -0.173431D+00  0.693515D+00
               171           172           173           174           175 
      1  -0.173431D+00  0.859450D+01 -0.259093D+01 -0.148720D+01 -0.968408D+00
      2   0.693515D+00 -0.259093D+01  0.399207D+01 -0.150224D+00  0.421030D+01
      3  -0.821137D-01 -0.148720D+01 -0.150224D+00  0.228170D+00 -0.282944D-01
               176           177           178           179           180 
      1   0.421030D+01 -0.282944D-01 -0.272270D+01  0.750996D+00  0.201422D+01
      2   0.223525D+01 -0.836969D+00  0.750996D+00 -0.175595D+01 -0.743031D+00
      3  -0.836969D+00  0.121161D+01  0.201422D+01 -0.743031D+00 -0.582960D+00
               181           182           183           184           185 
      1  -0.477394D+00  0.324122D+00  0.120590D+01 -0.336035D+00  0.833251D+00
      2   0.324122D+00  0.304512D+00 -0.162292D+00  0.833251D+00  0.533952D+00
      3   0.120590D+01 -0.162292D+00 -0.410599D+00 -0.427330D-01  0.110346D+01
               186           187           188           189           190 
      1  -0.427330D-01  0.260675D+01 -0.240989D+00  0.148180D+01  0.292672D+01
      2   0.110346D+01 -0.240989D+00  0.183089D+01  0.131651D+01  0.243212D+01
      3  -0.519526D-01  0.148180D+01  0.131651D+01  0.102693D+02 -0.864486D+00
               191           192           193           194           195 
      1   0.243212D+01 -0.864486D+00  0.372018D+01  0.317483D+01 -0.271816D+00
      2   0.261230D+01 -0.259574D+00  0.317483D+01  0.682806D+01 -0.101954D+01
      3  -0.259574D+00  0.701424D+00 -0.271816D+00 -0.101954D+01  0.115056D+01
               196           197           198           199           200 
      1  -0.185204D+01 -0.483361D+00  0.967798D+00 -0.263887D-01 -0.318522D+00
      2  -0.483361D+00 -0.189316D+01  0.119168D+01 -0.318522D+00  0.243075D+00
      3   0.967798D+00  0.119168D+01 -0.117394D+00  0.440513D+00 -0.273166D+00
               201           202           203           204           205 
      1   0.440513D+00 -0.483618D+00 -0.323260D-01  0.366597D-01  0.171504D+01
      2  -0.273166D+00 -0.323260D-01 -0.134081D+01  0.766427D+00  0.332140D+00
      3   0.841254D+00  0.366597D-01  0.766427D+00 -0.102138D+01 -0.447479D-01
               206           207           208           209           210 
      1   0.332140D+00 -0.447479D-01 -0.218574D+01 -0.550696D+00  0.236516D+00
      2   0.386751D+01 -0.292846D+01 -0.550696D+00 -0.203642D+01  0.920999D-01
      3  -0.292846D+01  0.728318D+01  0.236516D+00  0.920999D-01 -0.273398D-01
               211           212           213           214           215 
      1  -0.302683D+01 -0.134050D+00  0.253227D+00  0.596128D+00  0.108587D+00
      2  -0.134050D+00 -0.686533D+01  0.233551D+00  0.108587D+00  0.951890D+00
      3   0.253227D+00  0.233551D+00 -0.165711D+01  0.750164D-01 -0.559357D+00
               216 
      1   0.750164D-01
      2  -0.559357D+00
      3   0.663252D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124187D+01  0.268609D+00 -0.140099D+01 -0.174580D+01  0.631927D+00
      2   0.149764D+01 -0.454234D+00  0.428167D+00 -0.311477D+00  0.230191D+01
      3  -0.348606D+01 -0.182878D+01 -0.106913D+01  0.333338D+01  0.167061D+01
                 6             7             8             9            10 
      1   0.350522D-01 -0.244038D+00  0.407068D+01 -0.864936D+01  0.678589D+00
      2   0.937284D+00 -0.278045D+01  0.608497D+00 -0.101384D+02 -0.200500D+01
      3  -0.277492D+00  0.125749D+00 -0.170227D+01 -0.786333D+00  0.803678D+00
                11            12            13            14            15 
      1  -0.110679D+01  0.879673D-01  0.574157D+00 -0.153301D+01 -0.166044D+01
      2  -0.138684D+01  0.100669D+01  0.133276D+00 -0.247913D+01 -0.240164D+01
      3  -0.604364D+01 -0.781670D+00 -0.112830D+00 -0.332258D+00  0.203516D+01
                16            17            18            19            20 
      1  -0.715244D+00  0.238752D+01 -0.520577D+01 -0.928675D+00 -0.363635D+00
      2  -0.355325D+01 -0.138625D+01  0.132845D+02 -0.117553D+01  0.441051D+00
      3  -0.166958D+01  0.156980D+01  0.787583D+00  0.147863D+01  0.657923D+00
                21            22            23            24            25 
      1   0.121736D+01 -0.370008D+00 -0.193305D+01  0.131088D+00  0.148139D+01
      2   0.155705D+01 -0.107933D+01  0.403866D+00 -0.626421D+00 -0.320084D+01
      3   0.134899D+01  0.611216D+01 -0.466380D+01 -0.135914D+01  0.147244D+01
                26            27            28            29            30 
      1   0.279771D+01  0.105230D+02  0.916010D+00 -0.205083D+00  0.192480D+01
      2  -0.292929D+00 -0.235512D+01 -0.230573D+01 -0.458516D+00 -0.687074D-01
      3   0.420934D+00 -0.702769D+00 -0.607408D+01 -0.985907D+01 -0.726501D+00
                31            32            33            34            35 
      1  -0.109195D+01  0.144394D+01  0.224202D+01  0.194383D+01  0.303104D+01
      2  -0.913445D+00 -0.160751D+01 -0.249947D+01 -0.476603D+01  0.206116D+01
      3  -0.735641D+01 -0.295834D+01  0.228002D+01 -0.234630D+00  0.127641D+01
                36            37            38            39            40 
      1  -0.461370D+01  0.104733D+01  0.314118D+00 -0.348998D+01  0.933442D+00
      2   0.175801D+02  0.892731D+00  0.324733D+00  0.102552D+02  0.144932D+00
      3  -0.489093D+00 -0.938684D+01 -0.831775D+01 -0.811684D+00  0.130371D+02
                41            42            43            44            45 
      1   0.637321D+00 -0.733372D+01  0.266867D+01  0.522747D+01  0.231885D+00
      2   0.114091D+01  0.278101D+01 -0.631203D+01 -0.277951D+01  0.101556D+01
      3   0.574435D+01 -0.872224D+00 -0.390723D+01 -0.259345D+01 -0.271185D+00
                46            47            48            49            50 
      1  -0.534858D+00  0.863696D-02  0.227927D+01 -0.719873D+00 -0.110956D+01
      2   0.152211D+01  0.192162D+00 -0.612580D+01 -0.578506D+00  0.153931D+01
      3   0.339100D+01  0.651889D+01  0.109393D+01  0.326772D+01  0.204483D+01
                51            52            53            54            55 
      1  -0.223264D+00 -0.122309D+01  0.326589D+01  0.140043D+02 -0.343742D+01
      2   0.604749D-02 -0.393869D+01 -0.207685D+01 -0.108967D+02 -0.695462D+01
      3  -0.145485D+01  0.350153D+01 -0.165609D+01 -0.135646D+00  0.161460D+02
                56            57            58            59            60 
      1  -0.113802D+00  0.392936D+00  0.135981D+01 -0.215672D+01 -0.634199D+01
      2   0.174539D+01  0.188202D+01  0.686538D-01 -0.207711D+01 -0.271454D+01
      3  -0.194267D+01  0.291497D+01  0.904587D+01  0.972743D+01  0.124512D+01
                61            62            63            64            65 
      1   0.692048D+00  0.132351D+01 -0.244257D+01  0.855167D+00 -0.648899D-01
      2  -0.458001D+01 -0.196662D+01 -0.249264D+01  0.166351D+01 -0.228156D+00
      3   0.595537D+01  0.400571D+01  0.158538D+01  0.848571D+00 -0.143149D+01
                66            67            68            69            70 
      1  -0.568237D+00 -0.822743D-01  0.154687D+01 -0.968708D+00 -0.211430D-01
      2   0.944071D+00 -0.706966D-01  0.945734D+00  0.196652D+00 -0.435082D+01
      3  -0.917385D+00  0.110354D+01 -0.453153D+00 -0.116601D+01 -0.229003D+01
                71            72            73            74            75 
      1   0.409870D+01  0.886488D+01 -0.155037D+01 -0.474486D+00 -0.369369D+00
      2  -0.466930D+00  0.102531D+02  0.365528D+01  0.197034D+01  0.669370D+01
      3  -0.213088D+01  0.631460D+00  0.797318D+01 -0.417524D+01  0.249376D+00
                76            77            78            79            80 
      1  -0.250835D+01 -0.304047D+01 -0.139603D+01  0.315034D+00  0.476896D+01
      2   0.929988D+00  0.396029D+01 -0.236678D+01 -0.289423D+00 -0.296089D+00
      3   0.518913D+01  0.203224D+02 -0.257987D+01  0.140611D+01 -0.576710D+01
                81            82            83            84            85 
      1  -0.695674D+00  0.418943D+00  0.430815D+00  0.440400D+00  0.562003D+00
      2   0.291886D+01 -0.207476D+01 -0.425431D-02  0.461824D+00  0.306537D+00
      3   0.822255D+00 -0.767778D-01 -0.255969D+00 -0.353622D+00  0.182944D+01
                86            87            88            89            90 
      1   0.689305D+00 -0.170493D+01  0.535057D-01  0.449659D+01  0.371300D+01
      2  -0.187579D+01  0.331625D+00 -0.387670D+01  0.614083D+00 -0.140987D+02
      3   0.312431D+00  0.147966D+01 -0.647482D+00  0.316439D+01  0.166414D-01
                91            92            93            94            95 
      1  -0.176087D+01  0.102043D+00  0.205709D+00 -0.153332D+00 -0.152508D+01
      2   0.442581D+00  0.665513D+00  0.770218D+00  0.608063D+00  0.301908D+00
      3   0.283628D-01 -0.176304D+01  0.132953D+01  0.570617D+00  0.435529D+00
                96            97            98            99           100 
      1  -0.564826D+00 -0.486339D+00  0.405424D+01 -0.112721D+02  0.273301D+01
      2  -0.347688D+00 -0.519720D+01  0.194199D+00  0.228584D+01  0.132629D+00
      3  -0.225496D+00  0.276999D+01 -0.989773D+00  0.140438D+00  0.152127D+02
               101           102           103           104           105 
      1  -0.119552D+01 -0.393782D+01 -0.822867D+00  0.487161D+01 -0.465382D+01
      2  -0.155572D+01  0.395736D+01  0.635950D+00  0.451084D+00  0.175947D+01
      3  -0.114482D+02 -0.211113D+01 -0.544762D+00  0.951669D+01  0.147477D+01
               106           107           108           109           110 
      1  -0.265639D+01  0.218960D+01  0.255821D+01 -0.198271D+01 -0.144244D+01
      2  -0.301671D+01  0.126558D+01 -0.609785D+00  0.420996D+01  0.151307D+01
      3  -0.492202D+01  0.154747D+01  0.116840D+01  0.402516D+01  0.738689D+01
               111           112           113           114           115 
      1  -0.277952D+01 -0.290338D+01 -0.399685D+01  0.963212D+00  0.183553D+00
      2   0.210225D+01  0.221279D+01  0.575919D+01  0.204537D+00 -0.714740D+01
      3  -0.677617D+00  0.168695D+02  0.666958D+01 -0.417829D+01  0.713563D+00
               116           117           118           119           120 
      1   0.232064D+01  0.583968D+01  0.345295D+00  0.460207D+00  0.337433D+00
      2  -0.431827D+01 -0.239799D+02 -0.136757D+01  0.257723D+00  0.209878D+01
      3  -0.560590D+01  0.430250D+01 -0.100507D+00  0.280396D+00 -0.490419D+00
               121           122           123           124           125 
      1   0.178025D+00  0.988329D-01 -0.768592D+00 -0.129576D+00  0.447221D+01
      2  -0.507539D+00 -0.188731D+01  0.292420D+00 -0.382167D+01  0.797558D-01
      3   0.276908D+01 -0.786471D+00  0.176727D+01 -0.301817D+00  0.342767D+01
               126           127           128           129           130 
      1   0.289897D+01  0.266731D+00  0.139988D+00 -0.234774D+01  0.243865D+00
      2  -0.134052D+02  0.381659D-01 -0.180632D+01  0.565665D+01  0.536135D+00
      3  -0.115658D+01  0.289814D+01 -0.257979D+01  0.740479D+00  0.108496D+02
               131           132           133           134           135 
      1   0.278086D+00 -0.543025D+01 -0.190717D+00  0.627050D+01 -0.189294D+02
      2   0.193856D-01 -0.259828D-02 -0.369710D+00 -0.663247D+00  0.581192D+01
      3  -0.522473D+01 -0.131808D-01  0.501554D+00 -0.581683D+00  0.207863D+01
               136           137           138           139           140 
      1  -0.228309D+01 -0.218341D+00 -0.506123D+00  0.312251D+00 -0.130363D+01
      2   0.916894D+00  0.184835D+00  0.988116D+00  0.682614D+00  0.783339D+00
      3   0.663662D-01 -0.194919D+01  0.224051D+01  0.268679D+00  0.314227D+00
               141           142           143           144           145 
      1  -0.104540D+01 -0.287478D+00  0.276809D+01 -0.133827D+02  0.199397D+01
      2   0.587085D-01 -0.449956D+01  0.106394D+01  0.812926D+01  0.552087D+01
      3  -0.606505D+00  0.371042D+01 -0.599947D+00  0.635909D+00 -0.199692D+02
               146           147           148           149           150 
      1   0.420096D-01  0.307899D+01  0.251344D+00  0.556930D+00 -0.131105D+00
      2  -0.353181D+00  0.514264D+01  0.348531D+00  0.472729D+00 -0.250813D+00
      3  -0.408604D+01 -0.219834D+01 -0.223073D+01 -0.272258D+01 -0.840513D+00
               151           152           153           154           155 
      1   0.171448D+01  0.321469D+00  0.332666D+00  0.899553D+00  0.108348D+01
      2   0.216154D+01 -0.582928D+00  0.832489D+00 -0.846744D+00 -0.721090D+00
      3  -0.444635D+01 -0.145108D+01 -0.135478D+01 -0.463567D+01 -0.628011D+01
               156           157           158           159           160 
      1  -0.120285D+01  0.160329D+01  0.296996D+01 -0.238766D+01 -0.826777D+00
      2   0.248085D+01 -0.104261D+01 -0.255712D+01  0.432462D+01  0.683579D+00
      3  -0.108715D+00 -0.441411D+01 -0.215927D+02  0.146521D+01  0.795604D-01
               161           162           163           164           165 
      1  -0.870539D-01  0.310144D+00 -0.169903D+01  0.158165D+01  0.256681D+01
      2   0.174131D+01 -0.246297D-01 -0.306313D+00  0.672140D+00 -0.190603D+00
      3   0.311874D+01 -0.106200D+01 -0.121649D+02  0.839668D+01  0.137602D+01
               166           167           168           169           170 
      1   0.138905D+01 -0.231705D+01 -0.451365D+01  0.789840D+00 -0.130321D+01
      2   0.455304D+00 -0.952784D+00 -0.846467D-01 -0.903219D+00  0.835335D-01
      3   0.995382D+01 -0.117863D+02 -0.767681D+00  0.240062D+01 -0.149633D+01
               171           172           173           174           175 
      1  -0.125145D+00 -0.490653D+00 -0.693400D+00  0.387059D+01  0.307800D+00
      2  -0.239749D+00 -0.478173D+01  0.979673D+00  0.778055D+01 -0.141342D+01
      3  -0.985501D+00  0.135998D+01 -0.210627D+02  0.114841D+00 -0.117825D+02
               176           177           178           179           180 
      1  -0.251674D+01 -0.409717D+01 -0.830280D-01  0.479093D+01 -0.217662D+01
      2  -0.287384D+01 -0.177551D+00  0.226645D+01 -0.226393D+01 -0.332428D+01
      3  -0.104562D+02  0.307874D+01  0.401662D+00  0.671746D+01  0.195993D+01
               181           182           183           184           185 
      1  -0.302254D+00  0.986132D-02  0.226842D-02  0.432645D+00 -0.175324D+00
      2   0.424436D+01 -0.895630D+00 -0.479442D+00 -0.259411D+00  0.281375D+01
      3  -0.139902D+01 -0.136454D+01  0.886196D+00 -0.110576D+01 -0.978306D+00
               186           187           188           189           190 
      1  -0.170744D+00 -0.108992D+01  0.392850D+01 -0.448781D+01  0.163671D+01
      2  -0.133820D+00 -0.158176D+01  0.401965D+01  0.268015D+02 -0.281299D+01
      3  -0.273600D+01  0.188981D+01 -0.501685D+01 -0.327832D+01 -0.462538D+01
               191           192           193           194           195 
      1   0.946847D+00 -0.145099D+01  0.130778D+01  0.272144D+01 -0.303183D+01
      2  -0.126970D+01  0.325060D+01 -0.134923D+01 -0.396347D+01  0.406864D+01
      3  -0.711729D+01  0.299563D+00 -0.396717D+01 -0.191731D+02  0.290650D+01
               196           197           198           199           200 
      1  -0.940695D+00 -0.200248D+00  0.539148D+00  0.141664D+01 -0.401661D+00
      2   0.191242D+01  0.350205D+01 -0.815536D+00 -0.104767D+01 -0.110909D+00
      3  -0.255443D+00  0.551912D+01 -0.286533D+01 -0.648669D+00  0.517021D+00
               201           202           203           204           205 
      1   0.243255D+01  0.415258D-01  0.266068D+01 -0.267213D+01 -0.148682D+00
      2  -0.914959D+00 -0.570220D+00 -0.107488D+01  0.106563D+01 -0.256111D+01
      3  -0.151611D+01  0.113165D+01 -0.115400D+01  0.694500D+00 -0.453549D+01
               206           207           208           209           210 
      1  -0.611348D+01  0.217924D+02  0.520122D+00  0.891773D+00 -0.783460D+00
      2   0.274072D+01 -0.663730D+01  0.106588D+01  0.162702D+00 -0.986888D+00
      3   0.246179D+01 -0.279794D+01  0.754946D+01  0.934387D+01 -0.696877D+00
               211           212           213           214           215 
      1   0.776900D+00  0.263582D+01 -0.296540D+01 -0.132462D-01 -0.476462D+00
      2   0.103311D+01  0.455555D+00 -0.442068D+01 -0.976845D+00 -0.166792D+01
      3   0.688239D+01  0.263108D+02 -0.122529D+01 -0.171830D+01 -0.363813D+01
               216 
      1   0.237412D+00
      2  -0.194856D-01
      3   0.175634D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.612101D+01 -0.261486D+01  0.125546D+00  0.698740D+01 -0.424857D+00
      2  -0.631920D+01  0.125485D+02 -0.208290D+01  0.162991D+01 -0.734056D+01
      3   0.198195D+00 -0.993364D+01  0.195736D+01 -0.861730D+01  0.776542D+01
      4   0.810668D+01 -0.158113D+02 -0.142724D+01 -0.189204D+02  0.113293D+02
      5   0.429886D+01 -0.193289D+01 -0.362173D+01 -0.435200D+01  0.130534D+01
      6  -0.104708D+01  0.343466D+01  0.435846D+01  0.330018D+01 -0.416368D+01
                 6             7             8             9            10 
      1   0.110472D+01  0.432071D+01  0.710000D+00  0.105351D+02 -0.249486D+02
      2   0.522085D+00  0.811856D+00 -0.709093D+01  0.810652D+01  0.127949D+02
      3  -0.162681D+01 -0.513257D+01  0.638093D+01 -0.186416D+02  0.121537D+02
      4   0.228143D+01 -0.487172D+01  0.790491D+01  0.189317D+01 -0.834020D+01
      5   0.368683D+01 -0.829775D-01  0.250130D+01 -0.243166D+02 -0.773225D+01
      6  -0.636432D+01  0.140613D+01 -0.180867D+01  0.221116D+02 -0.977086D+00
                11            12            13            14            15 
      1  -0.812191D+01 -0.110313D+01 -0.122342D+02  0.829720D+01  0.163293D+01
      2   0.378887D+01  0.484438D+01  0.765981D+01 -0.302134D+01 -0.656802D+00
      3   0.433303D+01 -0.374125D+01  0.457441D+01 -0.527586D+01 -0.976124D+00
      4  -0.452099D+01 -0.465204D+00  0.711768D+01  0.215887D+01 -0.115625D+01
      5  -0.125325D+01 -0.420820D+01 -0.102064D+00 -0.122238D+00 -0.564453D+01
      6  -0.266382D+01 -0.641202D+00 -0.102712D+01 -0.926319D+00 -0.285180D+00
                16            17            18            19            20 
      1  -0.141173D+02 -0.179641D+01  0.108055D+02 -0.937638D+01  0.927739D+01
      2   0.707255D+01 -0.982317D+00  0.834296D+01  0.726199D+01 -0.149218D+02
      3   0.704474D+01  0.277873D+01 -0.191484D+02  0.211439D+01  0.564442D+01
      4  -0.143866D+01 -0.201364D+01 -0.158256D+01  0.202929D+01 -0.353219D+01
      5  -0.971777D+00 -0.220551D+01  0.335792D+02  0.213373D+01  0.152778D+01
      6   0.487667D-01 -0.642647D+00  0.125001D+02  0.798045D+00  0.173345D+01
                21            22            23            24            25 
      1  -0.801056D+00  0.540052D+01  0.606165D+01 -0.414702D+01 -0.107332D+01
      2  -0.142971D+01 -0.114691D+02 -0.140573D+02  0.170617D+00  0.419056D+01
      3   0.223077D+01  0.606862D+01  0.799563D+01  0.397640D+01 -0.311725D+01
      4   0.120929D+01 -0.817600D+01 -0.126381D+02 -0.652079D+00  0.407264D+01
      5  -0.206538D+01  0.226434D+01  0.121952D+01 -0.164794D+01  0.127597D+00
      6  -0.285241D+01 -0.402267D+00  0.526565D+01 -0.606791D+01 -0.136130D+01
                26            27            28            29            30 
      1  -0.371996D+01  0.926633D+01 -0.116951D+02 -0.822722D+00 -0.470129D+01
      2   0.954940D+01  0.116228D+02  0.440632D+01 -0.325752D+00  0.175465D+01
      3  -0.582944D+01 -0.208891D+02  0.728880D+01  0.114847D+01  0.294664D+01
      4   0.375961D+01 -0.541302D+00 -0.818267D+01 -0.866823D+00 -0.215750D+01
      5  -0.208700D+00 -0.608250D+01 -0.539917D+01 -0.109825D+01 -0.559849D+01
      6   0.785653D+00 -0.266560D+02 -0.273981D+01  0.633090D-01 -0.389556D+01
                31            32            33            34            35 
      1  -0.175525D+00  0.192604D+02 -0.306133D+00 -0.428590D+01 -0.222277D+00
      2   0.116609D+01 -0.194042D+02 -0.320701D+01 -0.127741D+01 -0.221879D+01
      3  -0.990567D+00  0.143770D+00  0.351315D+01  0.556331D+01  0.244107D+01
      4  -0.609111D+01  0.652669D+00 -0.256974D+01  0.178779D+01 -0.150760D+01
      5   0.247532D+01 -0.179762D+01 -0.727129D+01 -0.364184D+01  0.627689D+00
      6  -0.226210D+00  0.127906D+01 -0.800642D+01 -0.197508D+01 -0.793765D+00
                36            37            38            39            40 
      1   0.938726D+01  0.206223D+02 -0.389982D+01 -0.101556D+01 -0.414417D+00
      2   0.101372D+02 -0.141995D+02  0.391531D+01 -0.126002D+01 -0.183573D+00
      3  -0.195244D+02 -0.642276D+01 -0.154903D-01  0.227558D+01  0.597990D+00
      4   0.109368D+01 -0.763601D+01  0.149777D+02 -0.167438D+01  0.154644D+02
      5   0.346146D+02  0.218168D+01 -0.267886D+00  0.189266D+02 -0.200711D+01
      6   0.597087D+01 -0.555992D+00  0.267280D+01  0.830627D+01  0.159249D+00
                41            42            43            44            45 
      1  -0.155576D+02  0.309236D+01  0.630783D+01  0.408056D+01 -0.671652D+01
      2   0.217536D+02 -0.152073D+00 -0.596907D+01 -0.433001D+01 -0.539226D+01
      3  -0.619602D+01 -0.294029D+01 -0.338759D+00  0.249455D+00  0.121088D+02
      4  -0.126058D+01  0.130384D+01 -0.481951D+01  0.198223D+01 -0.255541D+01
      5   0.416950D+00  0.736704D+01  0.762768D+01 -0.226576D+00  0.107703D+01
      6  -0.354350D+01  0.130902D+02 -0.516886D+00  0.756411D+01  0.543654D+00
                46            47            48            49            50 
      1  -0.200358D+02  0.966935D+01  0.601571D+01 -0.262155D+01  0.958906D+01
      2   0.186519D+02 -0.117416D+02 -0.148645D+01 -0.293734D+01 -0.240082D+02
      3   0.138391D+01  0.207228D+01 -0.452926D+01  0.555889D+01  0.144192D+02
      4   0.451082D+01 -0.961596D+01  0.550546D+00 -0.144923D+02 -0.127070D+02
      5   0.246423D+00  0.729280D-01 -0.142968D+02  0.170498D+01  0.849886D+00
      6  -0.382327D+00 -0.342671D+01 -0.688028D+01  0.898718D+00  0.128009D+01
                51            52            53            54            55 
      1  -0.177545D+00  0.261852D+01 -0.128165D+01  0.119024D+02 -0.236555D+02
      2  -0.246675D+00  0.517130D+00  0.103075D+02  0.112591D+02  0.181529D+02
      3   0.424221D+00 -0.313565D+01 -0.902586D+01 -0.231615D+02  0.550261D+01
      4   0.184248D+01  0.449158D+01  0.137559D-01 -0.478159D+00  0.508837D+01
      5  -0.539234D+00 -0.392944D+01 -0.230202D+01 -0.183177D+02 -0.866375D+01
      6  -0.647854D+01 -0.163278D+01 -0.379462D+01 -0.339136D+02  0.789636D+01
                56            57            58            59            60 
      1  -0.135205D+01 -0.599609D+01 -0.750658D+01 -0.112595D+02 -0.459969D+01
      2  -0.530658D+01  0.550055D+01 -0.407089D+01  0.306528D+02  0.268917D+01
      3   0.665863D+01  0.495543D+00  0.115775D+02 -0.193934D+02  0.191052D+01
      4   0.204635D+02  0.565211D+01  0.299680D+02 -0.363892D+02 -0.503474D+01
      5   0.179017D+01  0.667966D+01  0.235869D+01 -0.524145D+01 -0.488136D+01
      6  -0.243709D+01 -0.111610D+01 -0.242490D+01  0.769083D+01  0.127813D+02
                61            62            63            64            65 
      1  -0.120225D+02 -0.262935D+01 -0.721153D+01 -0.411412D+00 -0.383450D+00
      2   0.480142D+01  0.793977D+01 -0.525566D+00 -0.259278D+01 -0.735775D+00
      3   0.722103D+01 -0.531042D+01  0.773709D+01  0.300419D+01  0.111922D+01
      4   0.148407D+02 -0.128161D+02 -0.737261D+01 -0.574108D+00  0.401965D+01
      5   0.886229D+01 -0.794658D+01 -0.556622D+01  0.297207D+01 -0.506987D+00
      6  -0.431249D+01  0.136344D+02  0.490762D+01 -0.246095D+01 -0.518589D+00
                66            67            68            69            70 
      1   0.299845D+01 -0.390861D+00 -0.295154D+01  0.223820D+01  0.404211D+01
      2  -0.163932D+01 -0.683909D+00  0.800332D+00 -0.286867D+01 -0.265909D+01
      3  -0.135914D+01  0.107477D+01  0.215120D+01  0.630473D+00 -0.138302D+01
      4  -0.255686D+01  0.392694D+01 -0.129099D+01  0.297905D+01 -0.463486D+01
      5   0.722339D+01  0.139257D+00  0.268211D+01 -0.263066D+00  0.598066D+01
      6   0.797430D+00  0.233044D+00 -0.339261D+01  0.776816D+01 -0.135528D+01
                71            72            73            74            75 
      1   0.334222D+01 -0.177051D+02  0.632461D+02  0.465276D+00  0.429913D+01
      2  -0.330024D+01 -0.162493D+02 -0.393040D+02 -0.200275D+01 -0.615639D+01
      3  -0.419767D-01  0.339544D+02 -0.239421D+02  0.153748D+01  0.185726D+01
      4   0.505156D+01 -0.161457D+01  0.509919D+01  0.465479D+01  0.199793D+01
      5  -0.196038D+01  0.230857D+02  0.103690D+02  0.175605D+01  0.132328D+02
      6   0.653072D+01 -0.217935D+02  0.136578D+01  0.138120D+01  0.535260D+00
                76            77            78            79            80 
      1  -0.145984D+02 -0.577396D+01 -0.189040D+01  0.176217D+02  0.212960D+01
      2   0.509223D+01 -0.983122D+00  0.189531D+01 -0.109820D+02  0.964658D+00
      3   0.950617D+01  0.675708D+01 -0.490563D-02 -0.663971D+01 -0.309426D+01
      4  -0.786538D+01 -0.300401D+02  0.535120D+01  0.641506D+01  0.965957D+01
      5   0.375408D+00  0.636011D+01 -0.337148D+01  0.178365D+02  0.950446D+00
      6  -0.144851D+00  0.109217D+01  0.469534D+01  0.255371D+01  0.493999D+01
                81            82            83            84            85 
      1   0.433280D+01  0.275749D+01  0.155025D+01 -0.520059D+01  0.152547D+01
      2  -0.113634D+02 -0.453635D+01 -0.115744D+01  0.284695D+01 -0.971855D+00
      3   0.703056D+01  0.177885D+01 -0.392809D+00  0.235364D+01 -0.553611D+00
      4   0.130632D+01  0.133295D+01  0.105885D+01 -0.865384D+00  0.105803D+01
      5   0.611182D+01 -0.408484D+01 -0.195492D+00  0.653343D+01  0.988361D-01
      6   0.179805D+01 -0.885896D+00  0.338133D+00 -0.528153D+00 -0.624413D+00
                86            87            88            89            90 
      1  -0.496047D+01  0.164254D+01 -0.719461D+01  0.110018D+01 -0.174695D+02
      2   0.942159D+00 -0.110887D+01  0.522048D+01 -0.902502D+00 -0.170166D+02
      3   0.401831D+01 -0.533671D+00  0.197414D+01 -0.197677D+00  0.344861D+02
      4  -0.102351D+00 -0.393343D+01 -0.253211D+01 -0.564299D+01  0.120366D+01
      5  -0.429931D+01  0.930017D+00  0.690165D+01  0.202604D+01 -0.322096D+02
      6  -0.186379D+01  0.869367D+01  0.474885D+00  0.590877D+01 -0.950185D+01
                91            92            93            94            95 
      1   0.172904D+01 -0.138914D+01  0.105505D+01 -0.200325D+01 -0.403999D+01
      2  -0.490137D+01  0.189107D+01 -0.234440D+00  0.225104D+01  0.150998D+01
      3   0.317233D+01 -0.501928D+00 -0.820612D+00 -0.247791D+00  0.253001D+01
      4  -0.493261D+00  0.184065D+01  0.245466D+01  0.230380D+01  0.136155D+01
      5   0.918595D+00  0.271381D+00  0.702892D+01 -0.145125D+00  0.739489D+00
      6   0.318761D+01 -0.103892D+00 -0.264403D+00  0.187197D+00  0.314750D+01
                96            97            98            99           100 
      1  -0.240941D+01  0.995346D+00 -0.507556D+01 -0.190558D+02  0.123758D+02
      2   0.417051D+01 -0.127709D+01  0.655782D+01 -0.174591D+02 -0.642824D+01
      3  -0.176110D+01  0.281744D+00 -0.148226D+01  0.365149D+02 -0.594756D+01
      4   0.105281D+01  0.395205D+01  0.173011D+01  0.441632D+00  0.209562D+02
      5  -0.356702D+00  0.541622D+01  0.310716D+00  0.616758D+01 -0.205798D+01
      6   0.699894D+01  0.102667D+01  0.638441D+01  0.259155D+02 -0.506583D+01
               101           102           103           104           105 
      1  -0.217734D+02 -0.163604D+00 -0.124119D+02 -0.740243D+01  0.600487D+01
      2   0.381109D+02  0.187614D+01  0.241560D+02  0.166546D+02 -0.382983D+01
      3  -0.163375D+02 -0.171253D+01 -0.117441D+02 -0.925214D+01 -0.217504D+01
      4   0.140436D+02 -0.422023D+01  0.147130D+02  0.284034D+02 -0.414425D+00
      5  -0.460105D+00  0.842765D+01 -0.927630D+00 -0.293484D+01  0.265183D+01
      6  -0.547477D+00  0.616950D+01  0.649923D+00 -0.785407D+01  0.106258D+02
               106           107           108           109           110 
      1  -0.101573D+01  0.101996D+02 -0.795832D+01  0.303457D+01  0.207818D+01
      2  -0.244399D+00 -0.156087D+02  0.631637D+00 -0.434366D+01 -0.141077D+01
      3   0.126013D+01  0.540911D+01  0.732668D+01  0.130910D+01 -0.667401D+00
      4  -0.718193D+01 -0.432375D+01  0.547412D+01  0.721894D+01 -0.204573D+02
      5   0.666719D+01  0.321881D+01 -0.873715D+00  0.137328D+02  0.245537D+01
      6   0.629796D+01  0.136981D+02 -0.530541D+01  0.337074D+01  0.287591D+01
               111           112           113           114           115 
      1   0.571508D+01  0.155027D+02 -0.241633D+02  0.348848D+01  0.176944D+02
      2  -0.627679D+01 -0.118466D+02  0.491948D+01  0.434286D+01 -0.554714D+01
      3   0.561719D+00 -0.365608D+01  0.192438D+02 -0.783134D+01 -0.121473D+02
      4   0.395899D+01 -0.357714D+02 -0.209498D+02  0.784659D+01 -0.246434D+01
      5  -0.550637D+00 -0.990390D+00  0.884669D+01  0.187675D+01 -0.612506D+01
      6   0.585623D+01  0.795264D+00  0.126839D+01 -0.558975D+01 -0.755743D+00
               116           117           118           119           120 
      1   0.111408D+01  0.106568D+02  0.415532D+01  0.111255D+01 -0.312087D+01
      2   0.150994D+01  0.129560D+02 -0.542052D+01 -0.889960D+00  0.218114D+01
      3  -0.262402D+01 -0.236127D+02  0.126519D+01 -0.222586D+00  0.939731D+00
      4   0.117286D+02 -0.114541D+02  0.834290D+00  0.152684D+01  0.456596D+00
      5  -0.905730D+01 -0.471068D+02 -0.367717D+01  0.275115D+00  0.882466D+01
      6  -0.182971D+01 -0.366426D+01 -0.316261D+00 -0.512759D-01 -0.346939D+00
               121           122           123           124           125 
      1   0.123382D+01 -0.534382D+01 -0.883533D+00 -0.619346D+01  0.124934D+01
      2  -0.105993D+01  0.191546D+01  0.194417D+00  0.753598D+01  0.424572D-01
      3  -0.173889D+00  0.342836D+01  0.689116D+00 -0.134251D+01 -0.129180D+01
      4   0.205469D+01  0.436836D+00 -0.247318D+01 -0.676684D+00 -0.365285D+01
      5  -0.827175D+00 -0.361155D+01  0.131484D+01  0.889119D+01  0.101455D+01
      6  -0.632722D+00 -0.471231D+00  0.808203D+01  0.991153D+00  0.545140D+01
               126           127           128           129           130 
      1  -0.174064D+02  0.796165D+01 -0.391535D+01  0.106972D+01 -0.670585D+00
      2  -0.177407D+02  0.208699D+01  0.100817D+02 -0.237172D+00  0.758893D+01
      3   0.351471D+02 -0.100486D+02 -0.616636D+01 -0.832545D+00 -0.691835D+01
      4   0.386455D+00  0.828310D+01  0.187128D+02 -0.891670D+00  0.216222D+02
      5  -0.279678D+02 -0.172445D+01 -0.142898D+01  0.794246D+01 -0.179575D+01
      6  -0.356300D+01 -0.110020D+01 -0.214187D+01  0.481204D+01 -0.319648D+00
               131           132           133           134           135 
      1  -0.349902D+02 -0.240566D+00 -0.362930D+00 -0.700246D+01  0.487952D+01
      2   0.659724D+02  0.200917D+01  0.704543D+00  0.542994D+01 -0.215991D+01
      3  -0.309822D+02 -0.176861D+01 -0.341613D+00  0.157251D+01 -0.271960D+01
      4   0.246160D+02 -0.346895D+00  0.467439D+00  0.131506D+01  0.170100D+01
      5  -0.817540D-01  0.470322D+00  0.569703D+01 -0.167052D+00  0.950187D+01
      6  -0.107601D+01  0.916640D+01  0.275367D+01  0.168717D+01  0.324717D+02
               136           137           138           139           140 
      1   0.778640D+00 -0.953040D+00  0.126912D+01 -0.119682D+01 -0.578816D+01
      2  -0.377170D+01  0.101230D+01 -0.130588D+00  0.161201D+01  0.417688D+01
      3   0.299306D+01 -0.592646D-01 -0.113853D+01 -0.415186D+00  0.161127D+01
      4  -0.194219D+00  0.346041D+01  0.375791D+01  0.267295D+01  0.213691D+01
      5   0.181104D+01  0.984025D+00  0.809772D+01  0.209532D+00  0.138433D+01
      6   0.458857D+01  0.357287D+00  0.105526D+01  0.240814D+00  0.446785D+01
               141           142           143           144           145 
      1  -0.256195D+01  0.690916D+00 -0.771333D+01 -0.211386D+02  0.478784D+02
      2   0.398608D+01 -0.868188D+00  0.546653D+01 -0.134123D+02 -0.225604D+02
      3  -0.142413D+01  0.177273D+00  0.224680D+01  0.345509D+02 -0.253180D+02
      4   0.123354D+01  0.519991D+01  0.415407D+01  0.178385D+01 -0.350456D+02
      5  -0.730846D-01  0.627664D+01  0.267563D+01  0.134586D+02  0.238570D+01
      6   0.809746D+01  0.223052D+01  0.111484D+02  0.318085D+02 -0.396688D+01
               146           147           148           149           150 
      1  -0.278193D+01  0.491924D+01  0.226197D+01  0.219348D+01  0.775699D+00
      2  -0.446395D+01 -0.210764D+01 -0.292352D+01  0.198562D+00 -0.112113D+01
      3   0.724588D+01 -0.281160D+01  0.661544D+00 -0.239204D+01  0.345428D+00
      4   0.139845D+02 -0.224024D+01  0.327889D+01 -0.104212D+01  0.730455D+00
      5   0.278396D+00  0.713269D+01  0.534308D+00  0.957141D+00 -0.112208D+01
      6  -0.439266D+00 -0.572301D+01 -0.389748D+00 -0.392558D+00  0.156882D+00
               151           152           153           154           155 
      1   0.922862D+01 -0.166509D+00  0.386081D+01  0.144267D+02  0.937270D+01
      2  -0.495286D+01 -0.114229D+01 -0.228648D+01 -0.411502D+01 -0.104432D+01
      3  -0.427576D+01  0.130880D+01 -0.157433D+01 -0.103117D+02 -0.832837D+01
      4  -0.679090D+01  0.270054D+01 -0.314907D+01  0.143250D+02  0.174434D+02
      5   0.589082D+01 -0.939249D+00  0.164377D+01 -0.194533D+00 -0.770829D-01
      6  -0.350999D+01  0.148114D+01 -0.216714D+00  0.120307D+00  0.100098D+01
               156           157           158           159           160 
      1  -0.124739D+01  0.236786D+02  0.103307D+02  0.337663D+00 -0.324463D+01
      2   0.658623D-01 -0.763357D+01  0.668222D+01 -0.151770D+01  0.131018D+01
      3   0.118153D+01 -0.160451D+02 -0.170129D+02  0.118003D+01  0.193444D+01
      4  -0.540873D+00  0.268184D+02  0.391802D+02 -0.179219D+01 -0.342302D+01
      5   0.445095D+01  0.447784D+00 -0.219084D+01  0.722050D+01  0.398154D+01
      6   0.192711D+01  0.127110D+01  0.104364D+01  0.263404D+01  0.158710D+01
               161           162           163           164           165 
      1  -0.119337D+01  0.163650D+01 -0.609475D+01  0.174322D+02  0.368071D+00
      2  -0.749238D+00 -0.339535D+00  0.102143D+02 -0.278807D+02 -0.989747D+00
      3   0.194261D+01 -0.129697D+01 -0.411958D+01  0.104484D+02  0.621676D+00
      4  -0.495043D+01  0.362173D+01 -0.102241D+02  0.629620D+01  0.133004D+01
      5   0.366651D+01  0.184157D+00  0.399317D+00 -0.903889D+00 -0.121757D+01
      6   0.266426D+01 -0.716134D+00  0.160650D+01 -0.602060D+00 -0.343525D+01
               166           167           168           169           170 
      1   0.885884D+01 -0.278940D+02 -0.663140D+00  0.995838D+00 -0.386844D+01
      2  -0.132394D+02  0.470493D+02  0.207235D+01 -0.170772D+01  0.574513D+01
      3   0.438057D+01 -0.191553D+02 -0.140921D+01  0.711879D+00 -0.187670D+01
      4   0.988386D+01 -0.639269D+01 -0.563645D+00  0.166711D+01 -0.118635D+01
      5  -0.770579D+00  0.957388D+00  0.526974D+00  0.806688D+00  0.331033D-01
      6  -0.798127D+00  0.910243D+00  0.712557D+01 -0.186742D+01  0.523163D+01
               171           172           173           174           175 
      1  -0.271229D+01  0.677501D+02 -0.906375D+01 -0.743580D+01 -0.979915D+01
      2   0.360996D+01 -0.356465D+02 -0.296986D+01  0.696182D+01  0.752263D+00
      3  -0.897672D+00 -0.321036D+02  0.120336D+02  0.473971D+00  0.904689D+01
      4  -0.110831D+01 -0.259304D+02  0.332374D+02  0.533742D+00  0.346122D+02
      5  -0.852463D+00 -0.106800D+02 -0.206592D+00  0.157254D+02  0.109050D+01
      6   0.245345D+00  0.885193D+00 -0.554560D+00 -0.546912D+01 -0.390015D+00
               176           177           178           179           180 
      1   0.287938D+02 -0.517332D+01 -0.181682D+02  0.824153D+00  0.634787D+01
      2  -0.162066D+02  0.819104D+00  0.989423D+01  0.233952D+01 -0.122360D+02
      3  -0.125872D+02  0.435422D+01  0.827398D+01 -0.316367D+01  0.588817D+01
      4   0.482212D+01 -0.533442D+01  0.771622D+01 -0.114344D+02 -0.562339D+01
      5  -0.694422D+01 -0.959931D-01  0.208550D+02 -0.608530D+01 -0.664913D+01
      6   0.323630D+01  0.981893D+01 -0.391757D+01  0.666957D+01  0.410327D+01
               181           182           183           184           185 
      1  -0.167356D+01  0.162164D+01  0.859862D+01 -0.242648D+01  0.470188D+00
      2  -0.186940D+01 -0.446967D+00 -0.407978D+01  0.198740D+01 -0.153783D+01
      3   0.354296D+01 -0.117467D+01 -0.451883D+01  0.439081D+00  0.106764D+01
      4   0.117786D+01  0.374484D+01 -0.289469D+00  0.616530D+01  0.314256D+01
      5   0.676771D+01 -0.298723D+00  0.477272D+01 -0.100606D+00  0.544996D+01
      6  -0.103742D-01 -0.816424D+00 -0.526186D+00  0.465781D+00  0.873753D+00
               186           187           188           189           190 
      1  -0.134750D+01  0.122070D+02 -0.468816D+01 -0.155724D+02  0.198141D+02
      2   0.412853D+00 -0.951940D+01  0.376640D+00 -0.200368D+02 -0.692952D+01
      3   0.934642D+00 -0.268759D+01  0.431152D+01  0.356092D+02 -0.128846D+02
      4   0.559803D+01  0.103145D+00  0.931958D+01  0.924688D+01  0.182011D+02
      5  -0.657647D+00  0.139299D+02  0.713278D+01  0.538424D+02 -0.500389D+01
      6   0.641385D+01  0.915855D+00  0.659894D+01  0.478411D+01 -0.111956D+01
               191           192           193           194           195 
      1   0.129453D+02 -0.499762D+01  0.190159D+02  0.930084D+01 -0.714313D+00
      2  -0.365406D+01  0.180552D+01 -0.606405D+01  0.756275D+01 -0.151833D+01
      3  -0.929122D+01  0.319210D+01 -0.129519D+02 -0.168636D+02  0.223264D+01
      4   0.207879D+02 -0.233517D+01  0.248853D+02  0.420596D+02 -0.614088D+01
      5  -0.170289D+01  0.586482D+01 -0.171336D+01 -0.558611D+01  0.725420D+01
      6  -0.504414D+00  0.198744D+01 -0.435491D+00 -0.207259D+01  0.409499D+01
               196           197           198           199           200 
      1  -0.100390D+02 -0.159832D+01  0.204694D+01 -0.181911D+01  0.197927D+01
      2   0.448909D+01 -0.774523D+00 -0.244163D+01  0.917974D+00 -0.185185D+01
      3   0.554993D+01  0.237284D+01  0.394696D+00  0.901134D+00 -0.127417D+00
      4  -0.425858D+01 -0.111690D+02  0.758260D+01  0.206098D+00  0.192602D+01
      5   0.726230D+01  0.772994D+01 -0.172150D+01 -0.698598D-01 -0.439049D+00
      6   0.211844D+01  0.425230D+01 -0.249790D+01 -0.256286D+01  0.160559D+01
               201           202           203           204           205 
      1  -0.213422D+01  0.112377D+01 -0.507095D+01  0.279182D+01 -0.249600D+01
      2   0.100150D+01 -0.675355D+00  0.730018D+01 -0.476908D+01  0.246798D+00
      3   0.113272D+01 -0.448412D+00 -0.222923D+01  0.197726D+01  0.224921D+01
      4  -0.262067D+01  0.257684D+01  0.140213D+01 -0.105793D+01 -0.740820D+01
      5   0.377401D+00 -0.133239D+00 -0.103719D+01  0.165402D+01  0.201939D+01
      6  -0.439039D+01 -0.990756D-01 -0.483489D+01  0.657124D+01 -0.475341D-01
               206           207           208           209           210 
      1   0.137756D+02 -0.162245D+02 -0.110815D+02 -0.833037D+01  0.181147D+01
      2  -0.160829D+02  0.558059D+01  0.752113D+01  0.840431D+01 -0.891547D+00
      3   0.230732D+01  0.106439D+02  0.356038D+01 -0.739400D-01 -0.919927D+00
      4  -0.554787D+01  0.244731D+01  0.827332D+00 -0.105657D+02  0.112618D+00
      5   0.414968D+01 -0.109690D+02  0.131705D+01  0.109037D+01 -0.230132D+01
      6   0.176375D+02 -0.389379D+02 -0.627995D+00 -0.655857D+00  0.264007D+00
               211           212           213           214           215 
      1  -0.201904D+02 -0.165492D+02  0.218558D+01  0.332654D+01  0.261074D+01
      2   0.119658D+02  0.242136D+02 -0.264901D+01 -0.195443D+01 -0.286648D+01
      3   0.822464D+01 -0.766440D+01  0.463434D+00 -0.137211D+01  0.255745D+00
      4   0.358848D+01 -0.373125D+02  0.149638D+01 -0.213150D+00  0.492535D+01
      5   0.216606D+01  0.267820D+01 -0.902891D+01  0.111540D+01 -0.336180D+01
      6  -0.406808D-01 -0.123471D+01  0.335846D+01  0.423936D+00  0.340970D+01
               216 
      1  -0.140749D+01
      2   0.149229D+01
      3  -0.848006D-01
      4  -0.270288D+01
      5  -0.387817D+00
      6  -0.664506D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:35:34 2022, MaxMem=  5368709120 cpu:            9520.7 elap:            1194.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17453 -19.17374 -19.16492 -19.16341 -19.16091
 Alpha  occ. eigenvalues --  -19.15419 -10.30460 -10.25515 -10.25361 -10.25279
 Alpha  occ. eigenvalues --  -10.25204 -10.24085  -1.09152  -1.05081  -1.04100
 Alpha  occ. eigenvalues --   -1.02887  -1.01966  -1.01475  -0.79855  -0.78031
 Alpha  occ. eigenvalues --   -0.69724  -0.66117  -0.63437  -0.61079  -0.57501
 Alpha  occ. eigenvalues --   -0.56256  -0.53660  -0.52325  -0.51353  -0.50561
 Alpha  occ. eigenvalues --   -0.48478  -0.46810  -0.46288  -0.43966  -0.42899
 Alpha  occ. eigenvalues --   -0.41270  -0.39917  -0.39403  -0.38156  -0.37411
 Alpha  occ. eigenvalues --   -0.36287  -0.34110  -0.33679  -0.31598  -0.30352
 Alpha  occ. eigenvalues --   -0.29740  -0.29374  -0.28220
 Alpha virt. eigenvalues --    0.00455   0.00886   0.02109   0.02412   0.04205
 Alpha virt. eigenvalues --    0.05013   0.05714   0.06417   0.06868   0.07563
 Alpha virt. eigenvalues --    0.08983   0.09858   0.10299   0.10620   0.10903
 Alpha virt. eigenvalues --    0.11058   0.11796   0.12813   0.13475   0.13811
 Alpha virt. eigenvalues --    0.14148   0.14958   0.15331   0.15988   0.16398
 Alpha virt. eigenvalues --    0.16817   0.17276   0.17536   0.18377   0.18878
 Alpha virt. eigenvalues --    0.19279   0.20441   0.21162   0.22323   0.22836
 Alpha virt. eigenvalues --    0.23340   0.24317   0.24623   0.24874   0.25765
 Alpha virt. eigenvalues --    0.25954   0.26084   0.26400   0.27111   0.27847
 Alpha virt. eigenvalues --    0.28309   0.28885   0.29241   0.29671   0.30492
 Alpha virt. eigenvalues --    0.30982   0.31604   0.32489   0.32706   0.33091
 Alpha virt. eigenvalues --    0.33955   0.34135   0.34554   0.35081   0.35534
 Alpha virt. eigenvalues --    0.35603   0.35838   0.36253   0.36833   0.37071
 Alpha virt. eigenvalues --    0.38447   0.39215   0.40343   0.40808   0.41018
 Alpha virt. eigenvalues --    0.41443   0.41600   0.41969   0.42651   0.43052
 Alpha virt. eigenvalues --    0.43958   0.44907   0.45907   0.46333   0.46834
 Alpha virt. eigenvalues --    0.47371   0.47743   0.48732   0.48839   0.50215
 Alpha virt. eigenvalues --    0.50252   0.50665   0.51202   0.51792   0.52470
 Alpha virt. eigenvalues --    0.53085   0.53276   0.54287   0.54938   0.55283
 Alpha virt. eigenvalues --    0.55669   0.56199   0.56719   0.56894   0.57482
 Alpha virt. eigenvalues --    0.57762   0.58057   0.59100   0.59336   0.60262
 Alpha virt. eigenvalues --    0.60471   0.60997   0.61887   0.62352   0.62680
 Alpha virt. eigenvalues --    0.62995   0.63736   0.64851   0.65198   0.65755
 Alpha virt. eigenvalues --    0.66662   0.67099   0.67207   0.68140   0.68807
 Alpha virt. eigenvalues --    0.70283   0.71344   0.71768   0.71919   0.73483
 Alpha virt. eigenvalues --    0.73916   0.75441   0.75923   0.76557   0.77275
 Alpha virt. eigenvalues --    0.77451   0.78382   0.78895   0.79070   0.79985
 Alpha virt. eigenvalues --    0.81384   0.81953   0.82909   0.83650   0.84047
 Alpha virt. eigenvalues --    0.85349   0.86206   0.87447   0.88425   0.89725
 Alpha virt. eigenvalues --    0.90597   0.92443   0.93535   0.94718   0.96257
 Alpha virt. eigenvalues --    0.97540   0.99998   1.01421   1.02319   1.03178
 Alpha virt. eigenvalues --    1.04857   1.06963   1.07250   1.07923   1.09407
 Alpha virt. eigenvalues --    1.10655   1.11843   1.12782   1.14333   1.15384
 Alpha virt. eigenvalues --    1.16513   1.18685   1.19914   1.20812   1.21619
 Alpha virt. eigenvalues --    1.23798   1.25814   1.26787   1.29123   1.31148
 Alpha virt. eigenvalues --    1.34502   1.35245   1.37328   1.38276   1.39439
 Alpha virt. eigenvalues --    1.42035   1.44384   1.47176   1.49384   1.50932
 Alpha virt. eigenvalues --    1.52260   1.53252   1.54707   1.55550   1.56984
 Alpha virt. eigenvalues --    1.58268   1.59434   1.62214   1.63021   1.64604
 Alpha virt. eigenvalues --    1.65949   1.67336   1.69625   1.70563   1.71918
 Alpha virt. eigenvalues --    1.72581   1.74816   1.76499   1.79486   1.81798
 Alpha virt. eigenvalues --    1.82380   1.82771   1.85069   1.86273   1.88730
 Alpha virt. eigenvalues --    1.89435   1.90429   1.91522   1.93119   1.94078
 Alpha virt. eigenvalues --    1.96181   1.97024   1.98041   1.99172   1.99499
 Alpha virt. eigenvalues --    2.01536   2.02542   2.04120   2.04560   2.05797
 Alpha virt. eigenvalues --    2.07367   2.09093   2.10156   2.10507   2.11908
 Alpha virt. eigenvalues --    2.12476   2.14767   2.16774   2.17964   2.19154
 Alpha virt. eigenvalues --    2.20396   2.21391   2.21634   2.23704   2.24336
 Alpha virt. eigenvalues --    2.25956   2.27201   2.28233   2.29079   2.32371
 Alpha virt. eigenvalues --    2.32809   2.33861   2.34309   2.35496   2.35988
 Alpha virt. eigenvalues --    2.37011   2.39158   2.39288   2.40755   2.41659
 Alpha virt. eigenvalues --    2.45299   2.46569   2.48623   2.50179   2.54093
 Alpha virt. eigenvalues --    2.55812   2.57521   2.62657   2.64693   2.67836
 Alpha virt. eigenvalues --    2.69749   2.72972   2.80970   2.87461   2.89767
 Alpha virt. eigenvalues --    2.93984   2.98838   2.99476   3.00943   3.02695
 Alpha virt. eigenvalues --    3.03562   3.04521   3.05330   3.06376   3.07566
 Alpha virt. eigenvalues --    3.08946   3.09375   3.11543   3.12247   3.14577
 Alpha virt. eigenvalues --    3.16286   3.17788   3.18950   3.21175   3.22421
 Alpha virt. eigenvalues --    3.24178   3.25703   3.28681   3.31963   3.49693
 Alpha virt. eigenvalues --    3.54252   3.54604   3.58649   3.59215   3.67507
 Alpha virt. eigenvalues --    3.78513   3.92782   3.95769   3.96266   3.97763
 Alpha virt. eigenvalues --    3.99245
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.123582  -0.214245  -0.319416  -0.131908  -0.029911  -0.044713
     2  C   -0.214245   6.266986  -0.058959  -0.016321  -0.109808  -0.277494
     3  C   -0.319416  -0.058959   6.197519  -0.030197  -0.151282  -0.088855
     4  C   -0.131908  -0.016321  -0.030197   6.440788  -0.595302   0.115364
     5  O   -0.029911  -0.109808  -0.151282  -0.595302  10.396600  -0.867274
     6  C   -0.044713  -0.277494  -0.088855   0.115364  -0.867274   6.070975
     7  O   -0.002490  -0.108541  -0.155068   0.032166   0.043271   0.007463
     8  H    0.393396  -0.049816   0.043309  -0.122388   0.041782  -0.048615
     9  O   -0.164890  -0.050934   0.004681  -0.009777   0.110665  -0.114411
    10  H    0.155747   0.328598  -0.084252  -0.005145  -0.137952   0.195075
    11  H    0.092167  -0.039283   0.282518   0.028966  -0.143176   0.052339
    12  O   -0.052391  -0.006887  -0.105937  -0.140158   0.064603   0.007163
    13  C    0.012136  -0.019159  -0.145546   0.109154  -0.030078   0.035591
    14  H   -0.040712   0.000102   0.217938   0.322091  -0.080119  -0.031510
    15  O    0.028096   0.003582  -0.012681  -0.038985   0.072126  -0.296926
    16  H   -0.059939   0.138576  -0.003486   0.062568  -0.133943   0.376095
    17  H    0.049082  -0.026531   0.054784   0.004972  -0.006302   0.010197
    18  H    0.051968   0.034187   0.004198   0.001896   0.003765  -0.018082
    19  H   -0.051735   0.005950   0.098504   0.047046   0.000848  -0.002209
    20  O   -0.002658  -0.006793   0.004466  -0.074531  -0.007900   0.020462
    21  H   -0.002563   0.007712  -0.028561   0.138279  -0.009055  -0.007062
    22  H    0.019486  -0.000407  -0.040116  -0.003399   0.070743  -0.006094
    23  H   -0.000100  -0.016330   0.002306  -0.010545   0.022950   0.103680
    24  H    0.000993   0.000193   0.013437  -0.023249   0.050597  -0.007652
               7          8          9         10         11         12
     1  C   -0.002490   0.393396  -0.164890   0.155747   0.092167  -0.052391
     2  C   -0.108541  -0.049816  -0.050934   0.328598  -0.039283  -0.006887
     3  C   -0.155068   0.043309   0.004681  -0.084252   0.282518  -0.105937
     4  C    0.032166  -0.122388  -0.009777  -0.005145   0.028966  -0.140158
     5  O    0.043271   0.041782   0.110665  -0.137952  -0.143176   0.064603
     6  C    0.007463  -0.048615  -0.114411   0.195075   0.052339   0.007163
     7  O    8.309408  -0.049256   0.070426  -0.058725  -0.114909   0.049614
     8  H   -0.049256   0.950733  -0.073831   0.014459   0.051199  -0.044903
     9  O    0.070426  -0.073831   8.390783  -0.116132  -0.003505   0.008979
    10  H   -0.058725   0.014459  -0.116132   0.971753  -0.007926   0.001573
    11  H   -0.114909   0.051199  -0.003505  -0.007926   1.111596  -0.107935
    12  O    0.049614  -0.044903   0.008979   0.001573  -0.107935   8.360916
    13  C    0.008417   0.001096   0.002854   0.000091  -0.029736   0.074655
    14  H    0.004171  -0.022709   0.002322  -0.003435   0.037537  -0.096101
    15  O   -0.001065   0.008927   0.006169  -0.024755  -0.005670   0.000131
    16  H    0.002852  -0.042349  -0.066255   0.017578  -0.000358   0.000430
    17  H    0.179550   0.005243  -0.001833   0.002267   0.007505  -0.002170
    18  H   -0.002781   0.007026   0.193091  -0.010338   0.000146  -0.000454
    19  H    0.011723  -0.009592   0.000920  -0.000020  -0.006973   0.157168
    20  O    0.000096   0.000649   0.000483  -0.000507  -0.000590   0.006071
    21  H    0.001645  -0.000989  -0.000323   0.000024  -0.027230  -0.011996
    22  H    0.000661   0.001510   0.000057   0.000302  -0.001697   0.034432
    23  H    0.000493   0.000932   0.007230  -0.018865   0.000453   0.000013
    24  H   -0.000091  -0.000090   0.000054   0.000077   0.001511   0.000719
              13         14         15         16         17         18
     1  C    0.012136  -0.040712   0.028096  -0.059939   0.049082   0.051968
     2  C   -0.019159   0.000102   0.003582   0.138576  -0.026531   0.034187
     3  C   -0.145546   0.217938  -0.012681  -0.003486   0.054784   0.004198
     4  C    0.109154   0.322091  -0.038985   0.062568   0.004972   0.001896
     5  O   -0.030078  -0.080119   0.072126  -0.133943  -0.006302   0.003765
     6  C    0.035591  -0.031510  -0.296926   0.376095   0.010197  -0.018082
     7  O    0.008417   0.004171  -0.001065   0.002852   0.179550  -0.002781
     8  H    0.001096  -0.022709   0.008927  -0.042349   0.005243   0.007026
     9  O    0.002854   0.002322   0.006169  -0.066255  -0.001833   0.193091
    10  H    0.000091  -0.003435  -0.024755   0.017578   0.002267  -0.010338
    11  H   -0.029736   0.037537  -0.005670  -0.000358   0.007505   0.000146
    12  O    0.074655  -0.096101   0.000131   0.000430  -0.002170  -0.000454
    13  C    4.401041  -0.095094  -0.004532   0.005532  -0.000151  -0.000021
    14  H   -0.095094   0.953203  -0.010222   0.006153  -0.000401   0.000421
    15  O   -0.004532  -0.010222   8.743487  -0.132334  -0.000408   0.000770
    16  H    0.005532   0.006153  -0.132334   1.158316   0.000241  -0.003696
    17  H   -0.000151  -0.000401  -0.000408   0.000241   0.587582   0.000659
    18  H   -0.000021   0.000421   0.000770  -0.003696   0.000659   0.582393
    19  H   -0.005302   0.008323   0.000026   0.000032  -0.000856  -0.000017
    20  O    0.152274  -0.022842  -0.001465   0.002582   0.000001  -0.000003
    21  H    0.223749   0.021995  -0.000383   0.001343  -0.000011   0.000012
    22  H    0.193383  -0.041455   0.000829   0.000059  -0.000023  -0.000002
    23  H    0.001045  -0.000533   0.064891   0.015129  -0.000016   0.001472
    24  H    0.001669   0.008302  -0.003186   0.004180  -0.000001  -0.000001
              19         20         21         22         23         24
     1  C   -0.051735  -0.002658  -0.002563   0.019486  -0.000100   0.000993
     2  C    0.005950  -0.006793   0.007712  -0.000407  -0.016330   0.000193
     3  C    0.098504   0.004466  -0.028561  -0.040116   0.002306   0.013437
     4  C    0.047046  -0.074531   0.138279  -0.003399  -0.010545  -0.023249
     5  O    0.000848  -0.007900  -0.009055   0.070743   0.022950   0.050597
     6  C   -0.002209   0.020462  -0.007062  -0.006094   0.103680  -0.007652
     7  O    0.011723   0.000096   0.001645   0.000661   0.000493  -0.000091
     8  H   -0.009592   0.000649  -0.000989   0.001510   0.000932  -0.000090
     9  O    0.000920   0.000483  -0.000323   0.000057   0.007230   0.000054
    10  H   -0.000020  -0.000507   0.000024   0.000302  -0.018865   0.000077
    11  H   -0.006973  -0.000590  -0.027230  -0.001697   0.000453   0.001511
    12  O    0.157168   0.006071  -0.011996   0.034432   0.000013   0.000719
    13  C   -0.005302   0.152274   0.223749   0.193383   0.001045   0.001669
    14  H    0.008323  -0.022842   0.021995  -0.041455  -0.000533   0.008302
    15  O    0.000026  -0.001465  -0.000383   0.000829   0.064891  -0.003186
    16  H    0.000032   0.002582   0.001343   0.000059   0.015129   0.004180
    17  H   -0.000856   0.000001  -0.000011  -0.000023  -0.000016  -0.000001
    18  H   -0.000017  -0.000003   0.000012  -0.000002   0.001472  -0.000001
    19  H    0.637571  -0.000386   0.003571  -0.003278   0.000012  -0.000135
    20  O   -0.000386   8.109168  -0.028143  -0.060117   0.000321   0.268617
    21  H    0.003571  -0.028143   0.968883  -0.077830   0.000396  -0.009552
    22  H   -0.003278  -0.060117  -0.077830   1.146926   0.000032   0.016351
    23  H    0.000012   0.000321   0.000396   0.000032   0.637654   0.000330
    24  H   -0.000135   0.268617  -0.009552   0.016351   0.000330   0.484106
 Mulliken charges:
               1
     1  C    0.191019
     2  C    0.215621
     3  C    0.300696
     4  C   -0.101383
     5  O   -0.575847
     6  C    0.816492
     7  O   -0.229029
     8  H   -0.055720
     9  O   -0.196822
    10  H   -0.219493
    11  H   -0.176948
    12  O   -0.197534
    13  C    1.106931
    14  H   -0.137427
    15  O   -0.396422
    16  H   -0.349307
    17  H    0.136621
    18  H    0.153391
    19  H    0.108808
    20  O   -0.359256
    21  H   -0.163909
    22  H   -0.250352
    23  H    0.187051
    24  H    0.192820
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.135298
     2  C   -0.003873
     3  C    0.123749
     4  C   -0.238809
     5  O   -0.575847
     6  C    0.467185
     7  O   -0.092408
     9  O   -0.043431
    12  O   -0.088726
    13  C    0.692669
    15  O   -0.209371
    20  O   -0.166436
 Electronic spatial extent (au):  <R**2>=           2207.2482
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.4877    Y=             -0.7906    Z=              1.8785  Tot=              4.0395
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.4224   YY=            -74.1765   ZZ=            -69.7571
   XY=              1.5519   XZ=              1.7298   YZ=             -4.1192
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.6371   YY=              1.6088   ZZ=              6.0282
   XY=              1.5519   XZ=              1.7298   YZ=             -4.1192
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -72.5917  YYY=              3.5030  ZZZ=              3.9320  XYY=             -8.1307
  XXY=              0.1947  XXZ=             14.1789  XZZ=             -2.8221  YZZ=            -10.1780
  YYZ=             11.3193  XYZ=              8.2358
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1734.2826 YYYY=          -1010.1793 ZZZZ=           -142.2054 XXXY=             43.4687
 XXXZ=             20.0949 YYYX=            -38.2593 YYYZ=            -39.7331 ZZZX=             -0.9030
 ZZZY=            -10.1998 XXYY=           -388.3678 XXZZ=           -292.5922 YYZZ=           -181.0743
 XXYZ=            -17.5455 YYXZ=              2.3042 ZZXY=              7.6961
 N-N= 8.260189978020D+02 E-N=-3.260272733381D+03  KE= 6.804314672421D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:35:35 2022, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36237549D+00-3.36885122D-01 7.28916177D-01
 Polarizability= 1.26080957D+02 2.98280023D+00 1.24040964D+02
                 9.51037475D-02-4.32296902D-01 1.08421669D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1239   -0.1230        0.7860    0.7884
 2      0.1239    0.1230        0.1352    0.1352       -2.2956   -2.2929
 3     -0.7860   -0.7884       12.0092   12.0067       -0.1352   -0.1352
 4     -0.1352   -0.1352        0.0000    0.0000       -0.7870   -0.7884
 5     -9.7135   -9.7139        0.7870    0.7884       -0.1244   -0.1230
 6      0.1352    0.1352        0.1244    0.1230        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3690    0.3690        2.3651    2.3651
 2     -0.4057   -0.4057       -0.0000    0.0000        2.3651    2.3651
 3     -0.4057   -0.4057        0.3690    0.3690       -0.0000    0.0000
 4      0.3690    0.3690        0.4057    0.4057       -6.8786   -6.8786
 5     -2.3651   -2.3651       36.0202   36.0202       -0.4057   -0.4057
 6    -29.1416  -29.1416        2.3651    2.3651       -0.3690   -0.3690
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0085    0.0000        0.5580    0.4920       -3.0138   -3.1534
 2     -0.5179   -0.4920       -0.4459   -0.5410        9.1303    9.1714
 3      3.0252    3.1534      -47.8211  -48.0269        0.5441    0.5410
 4      0.4963    0.5410       -0.0228    0.0000        3.3404    3.1534
 5     38.8513   38.8555       -2.8856   -3.1534        0.5595    0.4920
 6     -0.6158   -0.5410       -0.6324   -0.4920       -0.0998    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0901    0.0000        7.8558    7.9107        6.5291    6.6339
 2     -7.5713   -7.9107       -5.5036   -5.4534        0.0368    0.0360
 3     -6.8454   -6.6339       -8.2218   -8.5597        5.7688    5.4534
 4      5.3252    5.4534        0.0271    0.0000       -6.5110   -6.6339
 5      8.3081    8.5237        6.8306    6.6339        8.0192    7.9107
 6     -5.3881   -5.4534       -7.8821   -7.9107       -0.0289    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.9991  -20.7489        4.3346    4.4341      -10.8233  -10.9626
 2    -19.4714  -19.1575       14.6618   14.7893      -10.8324  -10.9626
 3    -19.5983  -19.1575        4.1467    4.4341      -15.1047  -15.2978
 4     -9.9686  -10.3552       -1.6352   -1.5914       -6.6097   -6.5223
 5     -4.8299   -4.3352      -14.7465  -14.3818        1.9487    1.5914
 6     20.4381   20.9041        4.3742    4.3352       10.2928   10.3552
 Full mass-weighted force constant matrix:
 Low frequencies ---  -20.6708  -16.6120  -13.3301   -0.0009   -0.0007   -0.0004
 Low frequencies ---   63.9724   90.7971  108.1524
 Diagonal vibrational polarizability:
      148.4233465      88.2550257     213.6707200
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.9373                90.7023               108.1445
 Red. masses --      6.8317                 4.2430                 6.4274
 Frc consts  --      0.0165                 0.0206                 0.0443
 IR Inten    --      0.4193                 8.6344                 1.0704
 RamAct Fr= 1--      0.0218                 0.0631                 0.0910
  Dep-P Fr= 1--      0.7362                 0.6365                 0.7181
  Dep-U Fr= 1--      0.8481                 0.7778                 0.8359
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0031                 0.0082                 0.0127
 AlphaG Fr= 1--     -0.0000                 0.0004                 0.0001
 Gamma2 Fr= 1--     -0.0484                -0.0957                 0.0128
 Delta2 Fr= 1--     -0.0111                -0.0152                -0.0047
 Raman1 Fr= 1--       0.087                  0.252                  0.364
 ROA1   Fr= 1--      -5.001                 -9.674                  1.077
 CID1   Fr= 1--     -57.282                -38.355                  2.958
 Raman2 Fr= 1--       0.037                  0.098                  0.152
 ROA2   Fr= 1--      -1.072                 -2.176                  0.345
 CID2   Fr= 1--     -28.956                -22.179                  2.265
 Raman3 Fr= 1--       0.074                  0.196                  0.304
 ROA3   Fr= 1--      -5.001                 -9.674                  1.077
 CID3   Fr= 1--     -67.543                -49.309                  3.538
 RC180  Fr= 1--       0.696                  0.556                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.03     0.01  -0.02  -0.03    -0.03   0.02   0.10
     2   6     0.04  -0.01   0.08    -0.01   0.01   0.05    -0.05  -0.02  -0.05
     3   6     0.01   0.04  -0.11     0.00  -0.04   0.01     0.02   0.01  -0.05
     4   6     0.03   0.02  -0.06     0.01  -0.06   0.06    -0.01  -0.06   0.06
     5   8     0.01   0.01  -0.12    -0.04  -0.08  -0.03    -0.05  -0.01   0.16
     6   6    -0.00   0.05  -0.11    -0.06  -0.01  -0.02    -0.00  -0.01   0.04
     7   8     0.02  -0.01   0.12     0.02   0.04  -0.14     0.05  -0.04   0.33
     8   1    -0.15  -0.00   0.03     0.05  -0.10  -0.04    -0.14   0.16   0.11
     9   8    -0.04  -0.01   0.27    -0.06   0.03   0.16     0.02   0.03  -0.26
    10   1     0.20  -0.04   0.08     0.08   0.03   0.05    -0.20  -0.08  -0.06
    11   1     0.09   0.14  -0.12    -0.04  -0.00   0.01     0.11   0.18  -0.05
    12   8    -0.03  -0.01  -0.27     0.04  -0.07  -0.02     0.02  -0.09  -0.30
    13   6    -0.02   0.02   0.08    -0.04  -0.05   0.17    -0.02   0.00   0.05
    14   1     0.11   0.03  -0.06     0.10  -0.02   0.06    -0.01  -0.16   0.06
    15   8     0.03  -0.01  -0.26    -0.10  -0.01  -0.07    -0.06  -0.01  -0.00
    16   1    -0.05   0.19  -0.11    -0.09   0.04  -0.02     0.11  -0.01   0.04
    17   1    -0.01  -0.03   0.23     0.02   0.02  -0.13     0.03   0.10   0.29
    18   1     0.05  -0.05   0.18    -0.02   0.01   0.12    -0.04   0.04  -0.29
    19   1     0.03   0.03  -0.19     0.04  -0.06  -0.09     0.12  -0.01  -0.23
    20   8    -0.01  -0.08   0.32     0.17   0.25  -0.10     0.10   0.14  -0.05
    21   1    -0.16   0.15   0.08    -0.11  -0.37   0.16    -0.00  -0.08   0.04
    22   1     0.06  -0.04   0.03    -0.16   0.11   0.47    -0.11   0.07   0.12
    23   1     0.11  -0.15  -0.28    -0.04  -0.07  -0.08    -0.25   0.01   0.03
    24   1    -0.11  -0.03   0.31     0.42   0.09  -0.21     0.28   0.05   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.2020               171.4723               187.9370
 Red. masses --      5.0415                 1.9085                 1.9063
 Frc consts  --      0.0584                 0.0331                 0.0397
 IR Inten    --      3.0057                58.6036                69.5154
 RamAct Fr= 1--      0.0810                 0.2391                 0.4708
  Dep-P Fr= 1--      0.5341                 0.7464                 0.7269
  Dep-U Fr= 1--      0.6963                 0.8548                 0.8418
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0094                 0.0341                 0.0661
 AlphaG Fr= 1--     -0.0001                -0.0005                 0.0006
 Gamma2 Fr= 1--     -0.0025                -0.0111                -0.0599
 Delta2 Fr= 1--      0.0153                -0.0870                 0.0291
 Raman1 Fr= 1--       0.324                  0.957                  1.883
 ROA1   Fr= 1--       0.246                 -3.844                 -4.820
 CID1   Fr= 1--       0.759                 -4.019                 -2.559
 Raman2 Fr= 1--       0.113                  0.409                  0.793
 ROA2   Fr= 1--      -0.183                  0.431                 -1.670
 CID2   Fr= 1--      -1.621                  1.053                 -2.107
 Raman3 Fr= 1--       0.226                  0.818                  1.585
 ROA3   Fr= 1--       0.246                 -3.844                 -4.820
 CID3   Fr= 1--       1.090                 -4.701                 -3.040
 RC180  Fr= 1--       0.393                  0.710                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04    -0.01  -0.01   0.00    -0.01   0.01   0.01
     2   6     0.01  -0.01   0.07    -0.03   0.00   0.02    -0.01   0.00  -0.00
     3   6    -0.00   0.07   0.07    -0.00  -0.05  -0.01    -0.01   0.02  -0.00
     4   6    -0.00   0.02   0.17    -0.01  -0.04  -0.04     0.02   0.04   0.01
     5   8    -0.02   0.07   0.28    -0.00  -0.02   0.04     0.02   0.01  -0.09
     6   6     0.07   0.06   0.05    -0.01   0.01   0.02     0.00   0.01  -0.01
     7   8    -0.04   0.02  -0.12     0.10   0.08   0.02     0.06   0.05   0.05
     8   1     0.08  -0.10   0.03    -0.04  -0.01   0.00    -0.03   0.03   0.02
     9   8     0.02  -0.05   0.06    -0.02  -0.08   0.02     0.01  -0.08  -0.02
    10   1     0.01  -0.01   0.07    -0.03   0.01   0.02    -0.01  -0.01  -0.00
    11   1    -0.02   0.20   0.07     0.00  -0.11  -0.01    -0.00   0.04  -0.00
    12   8    -0.02   0.01  -0.08    -0.03  -0.02   0.07    -0.08   0.03  -0.03
    13   6     0.05  -0.04   0.01     0.01   0.07  -0.11    -0.01  -0.08   0.12
    14   1    -0.06  -0.07   0.17    -0.07  -0.09  -0.04     0.10   0.11   0.01
    15   8     0.04  -0.02  -0.25    -0.06   0.00  -0.04     0.04   0.02   0.06
    16   1     0.24   0.25   0.05     0.01   0.04   0.02    -0.07  -0.02  -0.01
    17   1    -0.00   0.07  -0.30     0.15   0.50  -0.40     0.12   0.44  -0.38
    18   1     0.18  -0.14  -0.19     0.19  -0.19  -0.26     0.17  -0.16  -0.20
    19   1    -0.06   0.01  -0.24    -0.16  -0.10  -0.09    -0.21  -0.05  -0.20
    20   8    -0.11  -0.09  -0.16     0.05   0.03   0.05    -0.04  -0.04  -0.03
    21   1     0.21  -0.08   0.01     0.05   0.26  -0.10    -0.09  -0.30   0.11
    22   1     0.08  -0.06  -0.02    -0.05   0.04  -0.28     0.06  -0.05   0.33
    23   1    -0.19  -0.20  -0.22    -0.18  -0.02  -0.03     0.17   0.06   0.05
    24   1    -0.18  -0.05  -0.16     0.14   0.03   0.25    -0.15  -0.04  -0.29
                      7                      8                      9
                      A                      A                      A
 Frequencies --    225.4363               261.8132               281.0881
 Red. masses --      2.4387                 2.0028                 2.2848
 Frc consts  --      0.0730                 0.0809                 0.1064
 IR Inten    --     32.3255                39.7448               131.3784
 RamAct Fr= 1--      0.4249                 0.2195                 0.3057
  Dep-P Fr= 1--      0.5139                 0.7500                 0.6028
  Dep-U Fr= 1--      0.6789                 0.8571                 0.7522
 Alpha2 Fr= 1--      0.0020                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0481                 0.0314                 0.0383
 AlphaG Fr= 1--     -0.0013                 0.0000                 0.0026
 Gamma2 Fr= 1--     -0.0600                -0.0171                 0.0100
 Delta2 Fr= 1--     -0.0711                 0.0559                -0.0192
 Raman1 Fr= 1--       1.700                  0.878                  1.223
 ROA1   Fr= 1--      -8.034                  0.145                  0.347
 CID1   Fr= 1--      -4.727                  0.165                  0.284
 Raman2 Fr= 1--       0.577                  0.376                  0.460
 ROA2   Fr= 1--      -0.871                 -0.859                  0.395
 CID2   Fr= 1--      -1.510                 -2.283                  0.858
 Raman3 Fr= 1--       1.154                  0.752                  0.920
 ROA3   Fr= 1--      -8.034                  0.145                  0.347
 CID3   Fr= 1--      -6.963                  0.192                  0.378
 RC180  Fr= 1--       0.358                  0.714                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.05    -0.04   0.03   0.00    -0.04   0.01  -0.07
     2   6    -0.05  -0.03   0.04    -0.05   0.00   0.01    -0.05   0.02  -0.03
     3   6     0.02  -0.03   0.02    -0.02  -0.01   0.00    -0.01  -0.02  -0.08
     4   6     0.02  -0.01  -0.01    -0.05  -0.01   0.01     0.04  -0.01  -0.02
     5   8    -0.02   0.01   0.02    -0.02  -0.00   0.01    -0.04   0.05   0.08
     6   6    -0.03  -0.03   0.02    -0.01   0.00   0.01    -0.00   0.05   0.01
     7   8     0.08   0.01  -0.03     0.02   0.08   0.00     0.10   0.08  -0.01
     8   1     0.05  -0.11   0.04    -0.04   0.02   0.00    -0.09   0.02  -0.07
     9   8    -0.04   0.17  -0.05    -0.02  -0.04  -0.03    -0.04  -0.13  -0.01
    10   1    -0.11  -0.06   0.04    -0.08   0.01   0.01    -0.04   0.06  -0.03
    11   1     0.06  -0.03   0.02    -0.04  -0.00   0.00    -0.05  -0.08  -0.08
    12   8    -0.15   0.03   0.00     0.13  -0.09  -0.01    -0.09   0.05   0.03
    13   6     0.02  -0.01  -0.02    -0.06   0.04  -0.00     0.04  -0.07   0.02
    14   1    -0.00  -0.02  -0.01    -0.06  -0.01   0.01     0.08  -0.10  -0.02
    15   8     0.10  -0.08  -0.03     0.11  -0.05  -0.01    -0.00   0.04  -0.02
    16   1    -0.04   0.02   0.02    -0.04   0.04   0.01     0.05   0.07   0.01
    17   1     0.09   0.10  -0.11     0.04   0.24  -0.14    -0.04  -0.19   0.64
    18   1    -0.43   0.35   0.33    -0.14   0.05   0.28    -0.04  -0.07   0.27
    19   1    -0.42  -0.15  -0.32     0.32   0.06   0.16     0.01   0.05   0.41
    20   8     0.05  -0.01   0.01    -0.07   0.04  -0.00     0.07  -0.04  -0.02
    21   1     0.03   0.02  -0.02    -0.05   0.06  -0.00     0.01  -0.14   0.02
    22   1     0.01  -0.01  -0.04    -0.09   0.04  -0.03     0.07  -0.06   0.10
    23   1     0.25  -0.15  -0.05     0.71  -0.23  -0.11     0.25  -0.05  -0.06
    24   1     0.09  -0.02   0.08    -0.07   0.04  -0.01     0.18  -0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    302.7831               306.5449               316.4625
 Red. masses --      1.8643                 1.8506                 1.7029
 Frc consts  --      0.1007                 0.1025                 0.1005
 IR Inten    --    172.6175                43.6331                25.1829
 RamAct Fr= 1--      0.9725                 0.9165                 0.7237
  Dep-P Fr= 1--      0.6135                 0.1206                 0.6902
  Dep-U Fr= 1--      0.7605                 0.2152                 0.8167
 Alpha2 Fr= 1--      0.0024                 0.0153                 0.0008
 Beta2  Fr= 1--      0.1233                 0.0329                 0.0985
 AlphaG Fr= 1--     -0.0013                -0.0044                 0.0011
 Gamma2 Fr= 1--      0.7170                 0.2012                 0.0898
 Delta2 Fr= 1--      0.5414                 0.0032                 0.0804
 Raman1 Fr= 1--       3.890                  3.666                  2.895
 ROA1   Fr= 1--      86.159                 19.415                 11.194
 CID1   Fr= 1--      22.149                  5.296                  3.867
 Raman2 Fr= 1--       1.479                  0.394                  1.182
 ROA2   Fr= 1--      12.877                  4.802                  1.513
 CID2   Fr= 1--       8.706                 12.174                  1.279
 Raman3 Fr= 1--       2.958                  0.789                  2.364
 ROA3   Fr= 1--      86.159                 19.415                 11.194
 CID3   Fr= 1--      29.126                 24.611                  4.735
 RC180  Fr= 1--       0.521                 -0.570                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09    -0.01  -0.01  -0.03    -0.02   0.04  -0.07
     2   6    -0.02   0.02   0.08    -0.04  -0.01  -0.04     0.04   0.02  -0.09
     3   6     0.01   0.02   0.07     0.01   0.02  -0.04    -0.01   0.02  -0.03
     4   6     0.01  -0.00   0.01     0.02   0.01  -0.02     0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.06    -0.05   0.06   0.03    -0.02   0.01   0.04
     6   6    -0.03   0.06   0.03    -0.02  -0.01  -0.02     0.02   0.01  -0.05
     7   8    -0.11   0.01  -0.04    -0.05  -0.07   0.03    -0.07  -0.07   0.07
     8   1     0.04  -0.04   0.08    -0.03   0.03  -0.03    -0.04   0.14  -0.06
     9   8     0.03  -0.01  -0.05    -0.09   0.07   0.05     0.00  -0.04   0.03
    10   1    -0.10  -0.02   0.07     0.01  -0.01  -0.03     0.11   0.06  -0.08
    11   1     0.07   0.06   0.06     0.01  -0.00  -0.04    -0.07   0.00  -0.03
    12   8    -0.02  -0.01  -0.03     0.01   0.03  -0.01     0.05   0.03   0.04
    13   6     0.05  -0.04  -0.03     0.03  -0.05   0.00     0.02  -0.03   0.00
    14   1    -0.02   0.07   0.01     0.03  -0.03  -0.02     0.01  -0.05   0.01
    15   8    -0.04   0.05   0.01     0.10  -0.03   0.02    -0.05   0.04   0.01
    16   1    -0.13   0.11   0.02     0.02  -0.05  -0.02     0.09  -0.03  -0.04
    17   1    -0.09  -0.13  -0.03     0.04   0.23  -0.46    -0.00   0.14  -0.31
    18   1     0.17  -0.10  -0.32     0.02  -0.03  -0.29    -0.15   0.11   0.55
    19   1    -0.00   0.01  -0.04     0.28   0.15   0.57    -0.20  -0.07  -0.48
    20   8     0.08  -0.04  -0.01     0.06  -0.03  -0.01     0.03  -0.02  -0.02
    21   1     0.09  -0.01  -0.03     0.00  -0.09  -0.00     0.04  -0.04   0.00
    22   1     0.05  -0.06  -0.07     0.05  -0.04   0.05     0.02  -0.03   0.00
    23   1     0.59  -0.15  -0.10    -0.11   0.08   0.05     0.22   0.01  -0.04
    24   1     0.33  -0.09   0.42     0.23  -0.07   0.23     0.19  -0.05   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.9416               355.7695               364.4109
 Red. masses --      1.4310                 1.4329                 2.5179
 Frc consts  --      0.0929                 0.1069                 0.1970
 IR Inten    --    146.2020               158.7032               157.8047
 RamAct Fr= 1--      0.3518                 0.5102                 3.5037
  Dep-P Fr= 1--      0.4362                 0.5026                 0.3271
  Dep-U Fr= 1--      0.6074                 0.6690                 0.4929
 Alpha2 Fr= 1--      0.0023                 0.0025                 0.0331
 Beta2  Fr= 1--      0.0356                 0.0569                 0.2879
 AlphaG Fr= 1--      0.0018                 0.0014                -0.0136
 Gamma2 Fr= 1--     -0.1948                -0.1866                -0.9016
 Delta2 Fr= 1--     -0.1399                -0.1387                -0.5570
 Raman1 Fr= 1--       1.407                  2.041                 14.015
 ROA1   Fr= 1--     -23.179                -22.348               -104.378
 CID1   Fr= 1--     -16.470                -10.951                 -7.448
 Raman2 Fr= 1--       0.427                  0.683                  3.454
 ROA2   Fr= 1--      -3.556                 -3.367                -17.182
 CID2   Fr= 1--      -8.319                 -4.933                 -4.974
 Raman3 Fr= 1--       0.855                  1.365                  6.909
 ROA3   Fr= 1--     -23.179                -22.348               -104.378
 CID3   Fr= 1--     -27.116                -16.369                -15.109
 RC180  Fr= 1--       0.215                  0.338                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.04    -0.02   0.01   0.03     0.07  -0.01  -0.04
     2   6     0.00   0.00   0.04    -0.02  -0.01   0.01     0.11  -0.01  -0.04
     3   6     0.00   0.00   0.03    -0.02   0.00   0.03    -0.00   0.02   0.00
     4   6     0.02   0.01   0.01    -0.01   0.02   0.02    -0.03  -0.00   0.04
     5   8     0.04  -0.02  -0.03     0.02   0.00  -0.06     0.01  -0.05   0.02
     6   6     0.00   0.02   0.02     0.01   0.00  -0.00     0.03  -0.06  -0.04
     7   8    -0.03   0.00  -0.01     0.01   0.07  -0.02     0.10  -0.03   0.01
     8   1     0.02  -0.03   0.04    -0.01  -0.01   0.03     0.09   0.02  -0.03
     9   8     0.05  -0.05  -0.05    -0.01  -0.04  -0.01     0.09   0.05   0.03
    10   1    -0.05  -0.01   0.04    -0.04  -0.02   0.01     0.17  -0.01  -0.04
    11   1     0.04   0.04   0.03    -0.02   0.03   0.03    -0.02   0.05   0.00
    12   8    -0.05  -0.01  -0.05     0.03  -0.03  -0.01    -0.10   0.04  -0.04
    13   6     0.04   0.01  -0.00    -0.02  -0.02   0.03    -0.07   0.03   0.04
    14   1     0.02   0.04   0.01     0.01   0.09   0.02    -0.00  -0.01   0.04
    15   8    -0.06   0.03  -0.02     0.08  -0.01  -0.00    -0.10  -0.02   0.01
    16   1    -0.03   0.05   0.02    -0.03  -0.01  -0.00     0.07  -0.10  -0.04
    17   1     0.03   0.19  -0.35    -0.02  -0.01   0.14     0.10   0.06  -0.06
    18   1    -0.24   0.15   0.58    -0.09   0.02   0.17     0.10   0.03  -0.05
    19   1     0.20   0.10   0.50     0.00  -0.02  -0.16     0.06   0.07   0.43
    20   8     0.03  -0.01   0.01    -0.05  -0.01  -0.05    -0.15   0.04  -0.06
    21   1     0.06   0.03  -0.00    -0.00  -0.07   0.02    -0.02   0.01   0.04
    22   1     0.04  -0.00  -0.03     0.01  -0.02   0.07    -0.09   0.03   0.03
    23   1    -0.24   0.04   0.01    -0.54   0.19   0.10     0.36  -0.13  -0.06
    24   1    -0.07   0.01  -0.13     0.33  -0.06   0.65     0.21  -0.00   0.63
                     16                     17                     18
                      A                      A                      A
 Frequencies --    394.8273               422.2629               444.2011
 Red. masses --      4.3140                 5.7657                 5.2874
 Frc consts  --      0.3962                 0.6057                 0.6147
 IR Inten    --     14.5487                 4.7259                 2.0418
 RamAct Fr= 1--      1.4519                 4.6154                 9.0001
  Dep-P Fr= 1--      0.7303                 0.5301                 0.1535
  Dep-U Fr= 1--      0.8442                 0.6929                 0.2661
 Alpha2 Fr= 1--      0.0005                 0.0197                 0.1379
 Beta2  Fr= 1--      0.2043                 0.5330                 0.3992
 AlphaG Fr= 1--     -0.0034                 0.0084                 0.0290
 Gamma2 Fr= 1--      0.0891                 0.4113                 0.0115
 Delta2 Fr= 1--     -0.3035                 0.0688                 0.3674
 Raman1 Fr= 1--       5.808                 18.462                 36.000
 ROA1   Fr= 1--      -1.155                 41.687                 12.861
 CID1   Fr= 1--      -0.199                  2.258                  0.357
 Raman2 Fr= 1--       2.451                  6.396                  4.790
 ROA2   Fr= 1--       4.568                  9.321                 -2.664
 CID2   Fr= 1--       1.864                  1.457                 -0.556
 Raman3 Fr= 1--       4.902                 12.792                  9.581
 ROA3   Fr= 1--      -1.155                 41.687                 12.861
 CID3   Fr= 1--      -0.236                  3.259                  1.342
 RC180  Fr= 1--       0.688                  0.386                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.04    -0.14   0.09  -0.07    -0.04   0.17   0.02
     2   6     0.05   0.00   0.15     0.08   0.13   0.02     0.06  -0.00  -0.13
     3   6     0.06   0.09  -0.12    -0.14  -0.15  -0.11    -0.05   0.14   0.10
     4   6    -0.07  -0.03  -0.19    -0.02  -0.14  -0.06    -0.07  -0.04   0.12
     5   8    -0.05   0.02   0.03     0.16  -0.13   0.06    -0.00  -0.15  -0.01
     6   6    -0.04  -0.04   0.14     0.16   0.07   0.05     0.03  -0.19  -0.09
     7   8    -0.05   0.01  -0.01    -0.14   0.10   0.04    -0.08   0.24   0.00
     8   1    -0.09  -0.08   0.04    -0.27   0.11  -0.06     0.04   0.29   0.03
     9   8     0.17  -0.04  -0.06     0.12   0.17   0.02    -0.01  -0.01   0.04
    10   1    -0.06   0.08   0.15     0.11   0.19   0.02     0.17  -0.07  -0.13
    11   1     0.17  -0.03  -0.12    -0.17  -0.28  -0.10    -0.07   0.27   0.09
    12   8     0.07   0.19   0.06    -0.13  -0.15   0.03    -0.04   0.12  -0.05
    13   6    -0.17  -0.11  -0.03    -0.07  -0.07   0.01     0.03  -0.05  -0.06
    14   1    -0.11  -0.16  -0.19     0.00  -0.26  -0.06    -0.18   0.03   0.12
    15   8    -0.01  -0.12  -0.05     0.13   0.09  -0.02     0.02  -0.20   0.03
    16   1    -0.13   0.06   0.13     0.20   0.14   0.05     0.09  -0.34  -0.08
    17   1    -0.02  -0.02  -0.10    -0.13   0.14  -0.03    -0.11   0.11   0.19
    18   1     0.06   0.03   0.10     0.11   0.13  -0.18     0.07  -0.04  -0.01
    19   1    -0.03   0.11  -0.02    -0.09  -0.15   0.17     0.01   0.15   0.04
    20   8     0.02   0.02   0.03     0.00  -0.02  -0.00     0.14  -0.04   0.03
    21   1    -0.44  -0.29  -0.04    -0.17  -0.17   0.00     0.17   0.10  -0.05
    22   1    -0.11  -0.04   0.25    -0.06  -0.04   0.13    -0.05  -0.06  -0.22
    23   1    -0.21  -0.26  -0.03    -0.03   0.08  -0.00    -0.04  -0.10   0.04
    24   1     0.15  -0.06   0.01     0.04  -0.05  -0.04     0.02  -0.05  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --    488.0370               571.5199               601.0251
 Red. masses --      3.8505                 3.5531                 5.0965
 Frc consts  --      0.5403                 0.6838                 1.0847
 IR Inten    --      4.2683                43.9141                 9.8620
 RamAct Fr= 1--      7.3534                 2.8361                 0.1970
  Dep-P Fr= 1--      0.0960                 0.1496                 0.6369
  Dep-U Fr= 1--      0.1751                 0.2602                 0.7782
 Alpha2 Fr= 1--      0.1300                 0.0439                 0.0004
 Beta2  Fr= 1--      0.2146                 0.1230                 0.0256
 AlphaG Fr= 1--     -0.0334                 0.0065                -0.0004
 Gamma2 Fr= 1--     -0.3840                -0.2749                 0.0696
 Delta2 Fr= 1--     -0.0655                -0.1260                 0.0789
 Raman1 Fr= 1--      29.413                 11.345                  0.788
 ROA1   Fr= 1--     -38.958                -30.426                  9.212
 CID1   Fr= 1--      -1.324                 -2.682                 11.688
 Raman2 Fr= 1--       2.575                  1.476                  0.307
 ROA2   Fr= 1--      -8.692                 -5.591                  1.040
 CID2   Fr= 1--      -3.375                 -3.787                  3.391
 Raman3 Fr= 1--       5.150                  2.952                  0.613
 ROA3   Fr= 1--     -38.958                -30.426                  9.212
 CID3   Fr= 1--      -7.564                -10.306                 15.020
 RC180  Fr= 1--      -0.650                 -0.480                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20   0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.01
     5   8     0.14  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.05   0.15     0.15  -0.07  -0.08     0.01  -0.06  -0.04
     7   8    -0.02  -0.00   0.05    -0.08   0.12  -0.04     0.04   0.05  -0.00
     8   1    -0.30  -0.06  -0.11    -0.05  -0.07   0.17    -0.30  -0.19  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.20   0.07   0.01
    10   1    -0.18   0.18   0.08     0.00  -0.46  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.15     0.31  -0.13  -0.03    -0.38  -0.02  -0.01
    12   8     0.06   0.08   0.03     0.03   0.01   0.01     0.01  -0.16   0.03
    13   6     0.16   0.09   0.10     0.00   0.02   0.02     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.06     0.09  -0.09  -0.15    -0.08   0.30  -0.01
    15   8    -0.08  -0.13  -0.03    -0.12   0.02   0.02    -0.11  -0.08   0.02
    16   1    -0.12   0.01   0.15     0.34  -0.16  -0.07     0.00  -0.14  -0.04
    17   1    -0.04   0.11   0.06    -0.06   0.03  -0.04    -0.02   0.23   0.11
    18   1    -0.08   0.02  -0.16    -0.20   0.03  -0.06    -0.01   0.12  -0.07
    19   1     0.02   0.06  -0.06    -0.01  -0.02  -0.01     0.18   0.03  -0.11
    20   8    -0.06  -0.01  -0.05    -0.05   0.01  -0.01     0.10  -0.05   0.00
    21   1     0.29   0.10   0.10    -0.22  -0.16   0.01     0.02  -0.11  -0.02
    22   1     0.20   0.05   0.02     0.13   0.04   0.25     0.21  -0.04   0.09
    23   1    -0.02  -0.38  -0.05     0.16  -0.01  -0.02     0.01  -0.11  -0.00
    24   1    -0.09   0.06   0.17    -0.04   0.03   0.11     0.08  -0.05  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    631.5903               638.7938               883.7041
 Red. masses --      3.0272                 4.1013                 2.0962
 Frc consts  --      0.7115                 0.9860                 0.9645
 IR Inten    --     18.0496                22.1216                83.6273
 RamAct Fr= 1--      0.4496                 0.1951                 3.2966
  Dep-P Fr= 1--      0.5415                 0.6924                 0.4073
  Dep-U Fr= 1--      0.7026                 0.8183                 0.5788
 Alpha2 Fr= 1--      0.0018                 0.0002                 0.0238
 Beta2  Fr= 1--      0.0526                 0.0266                 0.3180
 AlphaG Fr= 1--     -0.0028                 0.0004                -0.0476
 Gamma2 Fr= 1--      0.0275                 0.1229                -0.5571
 Delta2 Fr= 1--      0.0606                -0.0049                -0.2450
 Raman1 Fr= 1--       1.798                  0.781                 13.186
 ROA1   Fr= 1--       4.579                 11.637                -61.323
 CID1   Fr= 1--       2.546                 14.908                 -4.650
 Raman2 Fr= 1--       0.632                  0.319                  3.816
 ROA2   Fr= 1--       0.175                  2.988                -11.410
 CID2   Fr= 1--       0.278                  9.358                 -2.990
 Raman3 Fr= 1--       1.263                  0.639                  7.633
 ROA3   Fr= 1--       4.579                 11.637                -61.323
 CID3   Fr= 1--       3.624                 18.219                 -8.034
 RC180  Fr= 1--       0.405                  0.637                  0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.06  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.07   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.01   0.11  -0.09    -0.14   0.06   0.05     0.01  -0.05   0.08
     5   8     0.09   0.09  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.02   0.14     0.14   0.03   0.06     0.09   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.32   0.30  -0.05    -0.07  -0.20  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.38  -0.08    -0.11  -0.08   0.02    -0.01  -0.02  -0.01
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.00
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.09    -0.12  -0.12   0.04
    14   1    -0.16   0.21  -0.09    -0.39   0.16   0.04     0.27   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.01    -0.03  -0.01   0.00
    16   1     0.05  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.03     0.06   0.12   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.08    -0.04   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.07    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02   0.00
    21   1    -0.25  -0.19  -0.05    -0.23  -0.17  -0.10     0.26   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.03    -0.40  -0.16  -0.51
    23   1    -0.04  -0.39  -0.04     0.06  -0.00  -0.04    -0.05  -0.21  -0.01
    24   1     0.03  -0.01   0.05     0.16  -0.10  -0.07     0.22  -0.14  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    993.4281              1011.5329              1019.5871
 Red. masses --      3.8855                 3.6297                 4.0798
 Frc consts  --      2.2593                 2.1881                 2.4988
 IR Inten    --    138.6037                34.4617                38.0624
 RamAct Fr= 1--      0.4401                 0.9782                 1.9664
  Dep-P Fr= 1--      0.3118                 0.6167                 0.6497
  Dep-U Fr= 1--      0.4753                 0.7629                 0.7877
 Alpha2 Fr= 1--      0.0044                 0.0024                 0.0035
 Beta2  Fr= 1--      0.0349                 0.1244                 0.2582
 AlphaG Fr= 1--      0.0067                 0.0154                 0.0002
 Gamma2 Fr= 1--     -0.0472                -0.2767                 0.7364
 Delta2 Fr= 1--      0.0188                -0.1320                 0.3814
 Raman1 Fr= 1--       1.760                  3.913                  7.866
 ROA1   Fr= 1--      -3.931                -30.788                 82.898
 CID1   Fr= 1--      -2.233                 -7.868                 10.539
 Raman2 Fr= 1--       0.418                  1.493                  3.098
 ROA2   Fr= 1--      -1.283                 -5.585                 14.623
 CID2   Fr= 1--      -3.067                 -3.742                  4.720
 Raman3 Fr= 1--       0.837                  2.985                  6.196
 ROA3   Fr= 1--      -3.931                -30.788                 82.898
 CID3   Fr= 1--      -4.698                -10.313                 13.380
 RC180  Fr= 1--      -0.049                  0.526                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12   0.22     0.16   0.07   0.03     0.20   0.06  -0.13
     2   6     0.03   0.19   0.06     0.11  -0.17  -0.05     0.06  -0.04   0.22
     3   6    -0.15   0.07  -0.13    -0.10   0.04  -0.10     0.07   0.07  -0.12
     4   6    -0.07   0.00  -0.05    -0.13  -0.04  -0.03     0.02   0.09   0.10
     5   8     0.01   0.00   0.01    -0.06  -0.01  -0.06     0.10   0.01   0.06
     6   6     0.09   0.01  -0.11    -0.00  -0.04   0.18    -0.09  -0.06  -0.14
     7   8     0.09  -0.10  -0.06    -0.00   0.05   0.02    -0.06   0.08   0.07
     8   1    -0.01  -0.07   0.20     0.22   0.24   0.04    -0.08  -0.02  -0.11
     9   8    -0.09  -0.01  -0.05    -0.05  -0.02   0.00    -0.09  -0.04  -0.06
    10   1    -0.10  -0.03   0.05     0.07  -0.24  -0.06     0.03  -0.05   0.20
    11   1    -0.02  -0.06  -0.12    -0.10  -0.05  -0.10    -0.27   0.07  -0.11
    12   8    -0.03  -0.05   0.05    -0.02  -0.03   0.02    -0.05  -0.10   0.04
    13   6    -0.01   0.03   0.09     0.04   0.10   0.09    -0.07  -0.03  -0.08
    14   1     0.18  -0.16  -0.04    -0.04  -0.13  -0.03    -0.03   0.13   0.10
    15   8    -0.02  -0.10   0.03     0.03   0.14  -0.03    -0.02  -0.02   0.00
    16   1     0.16  -0.05  -0.10    -0.08  -0.04   0.17    -0.16   0.13  -0.13
    17   1     0.16  -0.28  -0.18     0.13  -0.32  -0.21     0.09  -0.35  -0.22
    18   1     0.40  -0.10   0.23    -0.30   0.02  -0.14    -0.20  -0.02  -0.11
    19   1     0.18   0.19  -0.14     0.08   0.08  -0.05    -0.07  -0.14   0.07
    20   8     0.04  -0.04  -0.03     0.05  -0.06  -0.04     0.00   0.00   0.02
    21   1     0.17   0.18   0.09     0.12   0.02   0.08    -0.13  -0.09  -0.08
    22   1    -0.02  -0.04  -0.14     0.05   0.09   0.08    -0.03  -0.02   0.01
    23   1     0.01   0.16   0.04    -0.09  -0.40  -0.05     0.12   0.43   0.01
    24   1     0.06  -0.06  -0.05    -0.12   0.05   0.07     0.07  -0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1047.9418              1064.8384              1083.2026
 Red. masses --      2.9964                 3.6970                 3.6514
 Frc consts  --      1.9388                 2.4699                 2.5242
 IR Inten    --    183.9132               328.9216                11.5770
 RamAct Fr= 1--      2.1399                 3.6980                 1.2882
  Dep-P Fr= 1--      0.6430                 0.2451                 0.2167
  Dep-U Fr= 1--      0.7827                 0.3938                 0.3562
 Alpha2 Fr= 1--      0.0041                 0.0444                 0.0167
 Beta2  Fr= 1--      0.2792                 0.2427                 0.0765
 AlphaG Fr= 1--     -0.0155                 0.0099                -0.0059
 Gamma2 Fr= 1--     -0.2456                 0.6931                 0.5777
 Delta2 Fr= 1--     -0.0625                 0.8478                 0.5062
 Raman1 Fr= 1--       8.560                 14.792                  5.153
 ROA1   Fr= 1--     -25.575                 93.666                 71.661
 CID1   Fr= 1--      -2.988                  6.332                 13.907
 Raman2 Fr= 1--       3.350                  2.912                  0.918
 ROA2   Fr= 1--      -5.394                  9.852                  9.817
 CID2   Fr= 1--      -1.610                  3.383                 10.697
 Raman3 Fr= 1--       6.700                  5.825                  1.835
 ROA3   Fr= 1--     -25.575                 93.666                 71.661
 CID3   Fr= 1--      -3.817                 16.081                 39.045
 RC180  Fr= 1--       0.565                 -0.212                 -0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02     0.01  -0.06   0.01     0.01  -0.11   0.11
     2   6    -0.04   0.07   0.01     0.12   0.07   0.03    -0.05   0.04  -0.17
     3   6     0.07  -0.13  -0.06     0.09  -0.00  -0.08     0.06  -0.03  -0.15
     4   6    -0.15  -0.08   0.15    -0.06   0.06   0.08    -0.03   0.28   0.04
     5   8     0.05   0.10  -0.05    -0.18  -0.06  -0.07     0.03  -0.12   0.07
     6   6     0.02  -0.02  -0.04     0.21   0.03   0.05    -0.12  -0.04   0.05
     7   8    -0.01   0.00   0.00    -0.02   0.02   0.01    -0.02   0.03  -0.00
     8   1    -0.11  -0.09   0.02    -0.28  -0.25   0.01    -0.12  -0.10   0.11
     9   8     0.01   0.01  -0.00    -0.10   0.01  -0.05     0.05   0.02   0.03
    10   1    -0.05   0.06   0.01     0.05   0.02   0.02    -0.08   0.00  -0.16
    11   1     0.07  -0.02  -0.06    -0.03   0.10  -0.08     0.19  -0.07  -0.15
    12   8     0.05   0.06  -0.03     0.01  -0.02   0.01     0.02  -0.03   0.02
    13   6    -0.05   0.16   0.00     0.15  -0.09  -0.10    -0.10   0.00   0.04
    14   1    -0.26   0.05   0.14    -0.39   0.09   0.07     0.00   0.35   0.05
    15   8    -0.02  -0.02   0.01     0.00   0.00   0.01     0.04   0.06  -0.02
    16   1     0.09  -0.08  -0.03     0.18  -0.06   0.04    -0.13  -0.13   0.05
    17   1    -0.01  -0.03  -0.01     0.00  -0.04  -0.04     0.01  -0.09  -0.05
    18   1     0.14  -0.02   0.07     0.22  -0.06   0.15     0.30  -0.03   0.15
    19   1    -0.29  -0.32   0.22    -0.19  -0.25   0.16    -0.14  -0.20   0.12
    20   8     0.10  -0.12  -0.04    -0.07   0.10   0.07     0.03  -0.03  -0.02
    21   1    -0.08  -0.25  -0.01     0.04  -0.21  -0.08     0.00   0.24   0.04
    22   1    -0.16   0.30   0.30     0.29  -0.07   0.15     0.11  -0.17  -0.17
    23   1     0.00  -0.03   0.00    -0.09  -0.21   0.01    -0.02  -0.11  -0.03
    24   1    -0.30   0.14   0.20    -0.00   0.05  -0.01     0.28  -0.19  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1087.4936              1097.4176              1104.4585
 Red. masses --      4.4059                 2.5325                 3.2920
 Frc consts  --      3.0700                 1.7970                 2.3660
 IR Inten    --    325.6616                 6.1291               256.4754
 RamAct Fr= 1--      9.6960                 7.0232                 8.7264
  Dep-P Fr= 1--      0.4179                 0.4336                 0.5390
  Dep-U Fr= 1--      0.5895                 0.6049                 0.7004
 Alpha2 Fr= 1--      0.0673                 0.0459                 0.0355
 Beta2  Fr= 1--      0.9526                 0.7081                 1.0187
 AlphaG Fr= 1--     -0.0488                 0.0286                -0.0069
 Gamma2 Fr= 1--     -1.1525                -0.2394                -0.3331
 Delta2 Fr= 1--     -0.3292                -0.0018                -0.9006
 Raman1 Fr= 1--      38.784                 28.093                 34.906
 ROA1   Fr= 1--    -121.177                -23.035                -60.801
 CID1   Fr= 1--      -3.124                 -0.820                 -1.742
 Raman2 Fr= 1--      11.431                  8.497                 12.225
 ROA2   Fr= 1--     -25.028                 -5.730                 -0.790
 CID2   Fr= 1--      -2.189                 -0.674                 -0.065
 Raman3 Fr= 1--      22.862                 16.994                 24.449
 ROA3   Fr= 1--    -121.177                -23.035                -60.801
 CID3   Fr= 1--      -5.300                 -1.356                 -2.487
 RC180  Fr= 1--       0.179                  0.210                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10   0.10    -0.03  -0.06   0.08    -0.15   0.24   0.02
     2   6    -0.10  -0.02  -0.06     0.07   0.04  -0.10     0.01  -0.10  -0.02
     3   6    -0.10  -0.14  -0.08     0.02   0.14  -0.04     0.15   0.08  -0.07
     4   6    -0.12  -0.07   0.07     0.11  -0.10   0.08    -0.02   0.05   0.07
     5   8     0.15   0.11   0.00     0.06   0.06  -0.01     0.00  -0.04  -0.01
     6   6    -0.15  -0.04  -0.02    -0.12  -0.03   0.04    -0.01   0.12   0.03
     7   8     0.04  -0.02  -0.02     0.00  -0.00  -0.02     0.07  -0.12  -0.08
     8   1     0.06   0.22   0.10    -0.20  -0.18   0.08    -0.21   0.32   0.01
     9   8     0.07  -0.00   0.04    -0.02   0.01  -0.01     0.03  -0.02   0.02
    10   1    -0.11  -0.15  -0.05     0.08  -0.12  -0.11     0.11  -0.31  -0.03
    11   1    -0.16  -0.10  -0.08    -0.11   0.27  -0.03     0.34   0.06  -0.06
    12   8     0.04   0.07  -0.03    -0.04  -0.07   0.06    -0.03  -0.08   0.03
    13   6     0.18  -0.17  -0.07    -0.01  -0.02  -0.12    -0.02   0.01  -0.03
    14   1    -0.34  -0.01   0.05     0.20  -0.17   0.07    -0.05   0.01   0.07
    15   8     0.00   0.02  -0.01     0.02   0.04  -0.01    -0.01  -0.05   0.02
    16   1    -0.08  -0.07  -0.01    -0.17  -0.18   0.04    -0.03   0.18   0.03
    17   1     0.14  -0.32  -0.19    -0.04   0.11   0.07    -0.02   0.13   0.10
    18   1    -0.03   0.01  -0.04     0.26  -0.05   0.14    -0.41   0.07  -0.22
    19   1    -0.08  -0.05   0.05     0.14   0.14  -0.10    -0.20  -0.27   0.14
    20   8    -0.11   0.14   0.08    -0.01   0.02   0.02     0.01  -0.01   0.00
    21   1     0.15  -0.16  -0.05    -0.12  -0.31  -0.12    -0.01  -0.07  -0.03
    22   1     0.38  -0.23   0.01    -0.19   0.16   0.16     0.00   0.03   0.05
    23   1     0.03  -0.01  -0.02    -0.07  -0.29  -0.02    -0.00   0.01   0.02
    24   1     0.15  -0.02  -0.10    -0.20   0.14   0.13    -0.02   0.01   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1106.9090              1140.1491              1158.5632
 Red. masses --      3.4022                 3.7893                 2.9249
 Frc consts  --      2.4560                 2.9023                 2.3131
 IR Inten    --     86.1788                 8.6812                40.3391
 RamAct Fr= 1--     10.6123                 7.3393                 4.1489
  Dep-P Fr= 1--      0.5529                 0.7265                 0.4837
  Dep-U Fr= 1--      0.7120                 0.8416                 0.6520
 Alpha2 Fr= 1--      0.0399                 0.0030                 0.0221
 Beta2  Fr= 1--      1.2594                 1.0294                 0.4508
 AlphaG Fr= 1--     -0.0147                -0.0041                -0.0110
 Gamma2 Fr= 1--      1.1203                -1.5466                 2.0246
 Delta2 Fr= 1--      0.8951                -0.8222                 1.4535
 Raman1 Fr= 1--      42.449                 29.357                 16.596
 ROA1   Fr= 1--     136.194               -174.784                240.870
 CID1   Fr= 1--       3.208                 -5.954                 14.514
 Raman2 Fr= 1--      15.113                 12.353                  5.410
 ROA2   Fr= 1--      19.728                -30.541                 36.961
 CID2   Fr= 1--       1.305                 -2.472                  6.832
 Raman3 Fr= 1--      30.226                 24.706                 10.820
 ROA3   Fr= 1--     136.194               -174.784                240.870
 CID3   Fr= 1--       4.506                 -7.075                 22.261
 RC180  Fr= 1--       0.424                  0.683                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.04   0.03     0.04  -0.07  -0.06     0.04  -0.13  -0.00
     2   6    -0.20  -0.06  -0.10    -0.23   0.01   0.01     0.13  -0.03  -0.09
     3   6    -0.07   0.01  -0.07     0.12   0.24  -0.06     0.01   0.04  -0.01
     4   6     0.10   0.01   0.06    -0.15  -0.08  -0.05    -0.11  -0.07  -0.04
     5   8    -0.06  -0.05  -0.04     0.03   0.03  -0.03     0.08   0.02   0.00
     6   6     0.11   0.21   0.01     0.06  -0.11  -0.03    -0.09   0.22   0.01
     7   8    -0.01   0.06   0.04    -0.02   0.00   0.02    -0.04   0.04   0.02
     8   1     0.12   0.09   0.03     0.13  -0.09  -0.07     0.05  -0.20  -0.00
     9   8     0.10   0.01   0.07     0.10   0.01   0.05    -0.05   0.01  -0.02
    10   1    -0.26  -0.15  -0.10    -0.37   0.23   0.02     0.25  -0.10  -0.11
    11   1    -0.30   0.09  -0.07     0.32   0.25  -0.06     0.06   0.07  -0.01
    12   8    -0.01  -0.00   0.02    -0.06  -0.12   0.07     0.00  -0.01   0.01
    13   6    -0.04   0.01  -0.10     0.08  -0.00   0.08     0.04   0.02   0.08
    14   1     0.14  -0.07   0.07    -0.26  -0.23  -0.06    -0.35  -0.16  -0.05
    15   8    -0.03  -0.12   0.04    -0.01   0.04  -0.02    -0.02  -0.13   0.03
    16   1     0.20   0.27   0.01     0.26  -0.14  -0.04    -0.15   0.49   0.01
    17   1     0.14  -0.40  -0.24    -0.08   0.18   0.13    -0.10   0.22   0.13
    18   1    -0.03   0.04  -0.01     0.01   0.03  -0.01     0.07  -0.02   0.05
    19   1     0.11   0.13  -0.08     0.05   0.01  -0.02    -0.01  -0.01   0.02
    20   8     0.01  -0.01   0.01    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    21   1    -0.14  -0.21  -0.10     0.17   0.11   0.09     0.00   0.19   0.09
    22   1    -0.13   0.13   0.13     0.15  -0.07  -0.03     0.24  -0.11  -0.04
    23   1    -0.00   0.10   0.05     0.06   0.13  -0.02     0.04   0.22   0.05
    24   1    -0.10   0.06   0.06    -0.02   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.8139              1234.6779              1237.0501
 Red. masses --      1.2871                 1.2584                 1.1763
 Frc consts  --      1.1007                 1.1302                 1.0605
 IR Inten    --     31.2088                22.3306                17.3294
 RamAct Fr= 1--      0.7715                 5.7397                 4.4061
  Dep-P Fr= 1--      0.6814                 0.6779                 0.6032
  Dep-U Fr= 1--      0.8105                 0.8080                 0.7525
 Alpha2 Fr= 1--      0.0009                 0.0073                 0.0120
 Beta2  Fr= 1--      0.1042                 0.7730                 0.5526
 AlphaG Fr= 1--      0.0036                 0.0198                -0.0156
 Gamma2 Fr= 1--      0.9442                -3.7425                 0.8368
 Delta2 Fr= 1--      1.0150                -2.4035                 1.2578
 Raman1 Fr= 1--       3.086                 22.959                 17.624
 ROA1   Fr= 1--     123.126               -436.194                120.582
 CID1   Fr= 1--      39.899                -18.999                  6.842
 Raman2 Fr= 1--       1.251                  9.276                  6.631
 ROA2   Fr= 1--      14.541                -70.593                 10.020
 CID2   Fr= 1--      11.628                 -7.610                  1.511
 Raman3 Fr= 1--       2.501                 18.552                 13.262
 ROA3   Fr= 1--     123.126               -436.194                120.582
 CID3   Fr= 1--      49.227                -23.513                  9.093
 RC180  Fr= 1--       0.621                  0.616                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.04    -0.01  -0.01   0.04    -0.04  -0.04   0.05
     2   6     0.04  -0.02  -0.00     0.00   0.00   0.01     0.02   0.01  -0.05
     3   6    -0.04  -0.01  -0.06    -0.02  -0.00  -0.03     0.03   0.01   0.03
     4   6    -0.04   0.05   0.05     0.05  -0.03   0.06     0.01  -0.03  -0.03
     5   8     0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.01   0.00
     6   6     0.02  -0.02   0.00     0.03  -0.02  -0.01     0.00  -0.02   0.01
     7   8    -0.01   0.00  -0.01    -0.00  -0.01  -0.01     0.03   0.02  -0.00
     8   1     0.39   0.16   0.04     0.23   0.14   0.04    -0.49   0.03   0.07
     9   8    -0.01  -0.01  -0.00     0.00  -0.01  -0.00     0.01  -0.02   0.01
    10   1     0.08   0.46   0.02     0.06   0.26   0.03     0.11   0.53  -0.02
    11   1     0.36  -0.18  -0.07    -0.06   0.22  -0.03    -0.06   0.13   0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01    -0.01  -0.00   0.01
    13   6     0.01  -0.04  -0.05    -0.03   0.07  -0.03     0.01  -0.00   0.03
    14   1     0.20  -0.07   0.05     0.07  -0.24   0.07    -0.15   0.09  -0.03
    15   8    -0.01  -0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.01  -0.01
    16   1    -0.07   0.16  -0.00    -0.07  -0.07  -0.02     0.01   0.07   0.01
    17   1    -0.07   0.18   0.11    -0.04   0.09   0.06     0.15  -0.37  -0.23
    18   1    -0.18   0.02  -0.10    -0.15   0.02  -0.08    -0.32   0.04  -0.18
    19   1     0.09   0.11  -0.07    -0.06  -0.07   0.04     0.03   0.04  -0.02
    20   8     0.00   0.01   0.02    -0.02  -0.02  -0.00     0.00  -0.00  -0.01
    21   1     0.21  -0.22  -0.05    -0.41   0.15  -0.03    -0.03   0.06   0.03
    22   1    -0.16   0.07   0.03     0.46  -0.13   0.08    -0.05   0.01  -0.02
    23   1     0.06   0.22  -0.00    -0.01  -0.05  -0.00     0.06   0.16  -0.01
    24   1    -0.13   0.10   0.08     0.35  -0.25  -0.21    -0.03   0.02   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1256.3277              1280.4682              1319.6081
 Red. masses --      1.1844                 1.3276                 1.2669
 Frc consts  --      1.1014                 1.2824                 1.2998
 IR Inten    --     24.9763                70.4233                42.1765
 RamAct Fr= 1--      4.2041                 3.7535                 2.4389
  Dep-P Fr= 1--      0.3944                 0.1754                 0.7452
  Dep-U Fr= 1--      0.5657                 0.2985                 0.8540
 Alpha2 Fr= 1--      0.0318                 0.0544                 0.0002
 Beta2  Fr= 1--      0.3964                 0.1867                 0.3471
 AlphaG Fr= 1--      0.0639                 0.0095                 0.0006
 Gamma2 Fr= 1--      0.3580                -1.0341                 2.2040
 Delta2 Fr= 1--     -0.6409                -1.2121                 0.6585
 Raman1 Fr= 1--      16.817                 15.014                  9.755
 ROA1   Fr= 1--      13.857               -138.061                232.662
 CID1   Fr= 1--       0.824                 -9.195                 23.849
 Raman2 Fr= 1--       4.757                  2.241                  4.165
 ROA2   Fr= 1--      13.719                -15.122                 47.629
 CID2   Fr= 1--       2.884                 -6.748                 11.434
 Raman3 Fr= 1--       9.513                  4.482                  8.331
 ROA3   Fr= 1--      13.857               -138.061                232.662
 CID3   Fr= 1--       1.457                -30.805                 27.928
 RC180  Fr= 1--       0.131                 -0.403                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.01  -0.04   0.01    -0.01  -0.01  -0.03
     2   6     0.01  -0.02  -0.01    -0.05   0.08   0.03    -0.00   0.00  -0.01
     3   6    -0.03   0.00  -0.02    -0.02  -0.00  -0.03    -0.04   0.04   0.08
     4   6     0.03  -0.01  -0.07    -0.01   0.01  -0.03    -0.08   0.03  -0.03
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02     0.01  -0.00   0.01
     6   6     0.00  -0.02   0.02    -0.02   0.08  -0.06     0.01   0.01  -0.01
     7   8    -0.01  -0.01  -0.01    -0.01   0.01   0.01     0.01   0.02   0.02
     8   1     0.23   0.14   0.05     0.24  -0.08  -0.00    -0.14  -0.14  -0.03
     9   8    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00   0.00
    10   1    -0.10   0.08  -0.00     0.56  -0.04   0.05    -0.00  -0.00  -0.02
    11   1    -0.36   0.53  -0.03     0.01   0.19  -0.03     0.10   0.10   0.07
    12   8     0.04  -0.01   0.00     0.01  -0.00   0.01     0.04  -0.00  -0.02
    13   6     0.02  -0.03   0.02     0.01  -0.02   0.01    -0.02   0.01  -0.03
    14   1     0.02   0.20  -0.08    -0.04   0.11  -0.03     0.56  -0.42  -0.02
    15   8    -0.00  -0.00  -0.01     0.01   0.00   0.03     0.00  -0.00   0.00
    16   1     0.01   0.12   0.02     0.13  -0.31  -0.05    -0.13  -0.02  -0.01
    17   1    -0.06   0.15   0.10     0.00  -0.02  -0.01     0.09  -0.21  -0.12
    18   1     0.06  -0.01   0.03    -0.36   0.05  -0.19    -0.00  -0.00  -0.00
    19   1    -0.29  -0.37   0.23    -0.03  -0.04   0.03    -0.25  -0.32   0.19
    20   8     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.02
    21   1     0.05   0.01   0.02     0.09  -0.01   0.01     0.26  -0.18  -0.03
    22   1    -0.18   0.04  -0.06    -0.08   0.01  -0.03     0.15  -0.04   0.04
    23   1     0.05   0.18  -0.00    -0.13  -0.45   0.01    -0.02  -0.04   0.00
    24   1    -0.13   0.09   0.07    -0.08   0.06   0.05     0.03  -0.02  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1321.9317              1343.4917              1362.2045
 Red. masses --      1.2160                 1.2444                 1.2502
 Frc consts  --      1.2520                 1.3233                 1.3668
 IR Inten    --      9.9736                54.7827                19.9873
 RamAct Fr= 1--      3.3789                 2.3771                 1.6582
  Dep-P Fr= 1--      0.7443                 0.5825                 0.2467
  Dep-U Fr= 1--      0.8534                 0.7362                 0.3958
 Alpha2 Fr= 1--      0.0003                 0.0075                 0.0198
 Beta2  Fr= 1--      0.4806                 0.2917                 0.1094
 AlphaG Fr= 1--     -0.0001                 0.0016                 0.0055
 Gamma2 Fr= 1--      0.1343                -0.7358                -0.4506
 Delta2 Fr= 1--      0.3442                 1.1373                -0.2500
 Raman1 Fr= 1--      13.516                  9.509                  6.633
 ROA1   Fr= 1--      23.905                -34.249                -51.255
 CID1   Fr= 1--       1.769                 -3.602                 -7.727
 Raman2 Fr= 1--       5.767                  3.500                  1.313
 ROA2   Fr= 1--       0.469                -26.759                 -8.814
 CID2   Fr= 1--       0.081                 -7.646                 -6.716
 Raman3 Fr= 1--      11.534                  7.000                  2.625
 ROA3   Fr= 1--      23.905                -34.249                -51.255
 CID3   Fr= 1--       2.073                 -4.893                -19.526
 RC180  Fr= 1--       0.707                  0.472                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6     0.01   0.02  -0.01    -0.03  -0.04   0.05     0.03  -0.01  -0.01
     3   6    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.02  -0.02  -0.02
     4   6    -0.03  -0.04   0.00    -0.00  -0.03   0.00    -0.01  -0.08  -0.02
     5   8    -0.02  -0.01  -0.02     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6    -0.07  -0.02   0.07    -0.02  -0.01   0.02     0.03   0.02  -0.05
     7   8    -0.01  -0.01   0.00     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.04  -0.27  -0.00     0.04   0.48  -0.02     0.01  -0.18  -0.03
     9   8     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.00  -0.00   0.02
    10   1     0.13  -0.03  -0.00     0.32  -0.09   0.06    -0.36   0.05  -0.03
    11   1    -0.03  -0.05   0.00     0.36   0.31  -0.02     0.26   0.23  -0.03
    12   8    -0.00   0.00  -0.00    -0.00  -0.00   0.02    -0.01  -0.00   0.02
    13   6    -0.01   0.03  -0.03     0.00   0.01  -0.01    -0.01   0.05  -0.02
    14   1     0.33   0.30   0.00     0.05   0.16  -0.00     0.11   0.60  -0.02
    15   8    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.02
    16   1     0.71   0.04   0.08     0.21   0.13   0.02    -0.28   0.06  -0.06
    17   1    -0.05   0.11   0.07     0.11  -0.27  -0.16     0.01  -0.01  -0.01
    18   1    -0.11   0.01  -0.05     0.39  -0.05   0.20    -0.08   0.01  -0.04
    19   1     0.01   0.02  -0.01     0.04   0.05  -0.03     0.07   0.09  -0.05
    20   8    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.03  -0.09  -0.03    -0.00  -0.02  -0.01     0.22  -0.17  -0.02
    22   1     0.17  -0.03   0.05     0.04  -0.00   0.02     0.07   0.05   0.08
    23   1     0.10   0.26  -0.01     0.00   0.02   0.01    -0.06  -0.20   0.01
    24   1     0.10  -0.07  -0.06     0.04  -0.03  -0.02     0.20  -0.15  -0.12
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.0372              1386.3744              1403.9257
 Red. masses --      1.2755                 1.2210                 1.3974
 Frc consts  --      1.4126                 1.3827                 1.6227
 IR Inten    --      1.2498                32.0402                 7.4278
 RamAct Fr= 1--      3.7958                 7.3615                 3.3848
  Dep-P Fr= 1--      0.5502                 0.7357                 0.7396
  Dep-U Fr= 1--      0.7098                 0.8477                 0.8503
 Alpha2 Fr= 1--      0.0145                 0.0018                 0.0006
 Beta2  Fr= 1--      0.4491                 1.0401                 0.4797
 AlphaG Fr= 1--     -0.0118                 0.0202                -0.0034
 Gamma2 Fr= 1--     -0.3278                -0.2425                 0.4687
 Delta2 Fr= 1--     -0.2666                -1.7632                -1.2701
 Raman1 Fr= 1--      15.183                 29.446                 13.539
 ROA1   Fr= 1--     -39.997                -79.702                  4.353
 CID1   Fr= 1--      -2.634                 -2.707                  0.322
 Raman2 Fr= 1--       5.389                 12.481                  5.756
 ROA2   Fr= 1--      -5.734                  8.285                 21.410
 CID2   Fr= 1--      -1.064                  0.664                  3.720
 Raman3 Fr= 1--      10.778                 24.962                 11.512
 ROA3   Fr= 1--     -39.997                -79.702                  4.353
 CID3   Fr= 1--      -3.711                 -3.193                  0.378
 RC180  Fr= 1--       0.420                  0.695                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.00   0.00     0.02   0.03  -0.00
     2   6    -0.03  -0.04   0.02    -0.03   0.04  -0.01     0.05  -0.09   0.02
     3   6     0.07   0.04   0.01     0.01  -0.02  -0.00    -0.06   0.00   0.01
     4   6    -0.04  -0.02  -0.03     0.04   0.02  -0.02     0.06   0.04  -0.00
     5   8     0.01  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.02  -0.03   0.06    -0.08   0.06  -0.05
     7   8    -0.01  -0.01  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.22   0.49   0.09     0.07  -0.06  -0.01    -0.07  -0.05  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.19  -0.00    -0.33   0.35   0.02
    11   1    -0.47  -0.32   0.03    -0.08   0.10  -0.01     0.20   0.03   0.00
    12   8    -0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    13   6    -0.02   0.04  -0.01    -0.01   0.06  -0.00     0.01   0.01   0.01
    14   1     0.11   0.11  -0.02    -0.30  -0.19  -0.03    -0.29  -0.25  -0.01
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.01   0.02
    16   1     0.03   0.06  -0.05    -0.15  -0.12   0.06     0.50  -0.17  -0.04
    17   1    -0.07   0.18   0.11     0.01  -0.01  -0.01    -0.01   0.02   0.01
    18   1     0.11  -0.01   0.05    -0.04   0.01  -0.02     0.11  -0.02   0.06
    19   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.04  -0.03   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.42  -0.22  -0.01     0.10  -0.03   0.00
    22   1     0.08   0.01   0.07    -0.24   0.23   0.13    -0.25   0.16   0.05
    23   1    -0.07  -0.22   0.01     0.09   0.30  -0.02    -0.07  -0.25   0.01
    24   1     0.12  -0.09  -0.07     0.35  -0.27  -0.21     0.17  -0.13  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1419.5659              1429.6532              1434.9620
 Red. masses --      1.5021                 1.4966                 1.2623
 Frc consts  --      1.7834                 1.8023                 1.5315
 IR Inten    --     13.7647                41.1161                35.1341
 RamAct Fr= 1--      6.5958                 4.7231                 1.6905
  Dep-P Fr= 1--      0.7492                 0.6594                 0.5950
  Dep-U Fr= 1--      0.8566                 0.7948                 0.7461
 Alpha2 Fr= 1--      0.0001                 0.0076                 0.0049
 Beta2  Fr= 1--      0.9416                 0.6256                 0.2102
 AlphaG Fr= 1--     -0.0011                -0.0166                -0.0266
 Gamma2 Fr= 1--      1.2727                -1.5163                -0.1998
 Delta2 Fr= 1--      1.4082                -0.2367                -0.0089
 Raman1 Fr= 1--      26.383                 18.892                  6.762
 ROA1   Fr= 1--     167.239               -153.136                -19.466
 CID1   Fr= 1--       6.339                 -8.106                 -2.879
 Raman2 Fr= 1--      11.300                  7.508                  2.523
 ROA2   Fr= 1--      19.279                -34.496                 -4.724
 CID2   Fr= 1--       1.706                 -4.595                 -1.873
 Raman3 Fr= 1--      22.600                 15.015                  5.045
 ROA3   Fr= 1--     167.239               -153.136                -19.466
 CID3   Fr= 1--       7.400                -10.199                 -3.858
 RC180  Fr= 1--       0.713                  0.590                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.06   0.02     0.09   0.07   0.01    -0.06   0.04   0.01
     2   6    -0.10  -0.07  -0.02    -0.05  -0.06  -0.00    -0.02  -0.00  -0.02
     3   6    -0.08   0.05   0.00    -0.02  -0.09   0.00     0.03   0.00  -0.01
     4   6     0.01  -0.03   0.01     0.03   0.02  -0.00     0.04   0.01  -0.00
     5   8     0.00   0.00   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.01   0.01    -0.01  -0.09  -0.03
     7   8    -0.01  -0.01  -0.01    -0.02  -0.02  -0.02     0.01   0.01   0.02
     8   1    -0.22  -0.26   0.00    -0.31  -0.12   0.01     0.26  -0.33  -0.03
     9   8    -0.00   0.01  -0.02    -0.01   0.01  -0.01     0.00   0.00  -0.00
    10   1     0.50   0.21   0.03     0.20   0.17   0.02     0.13   0.07  -0.01
    11   1     0.21  -0.22   0.01     0.13   0.40  -0.02    -0.15  -0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.00  -0.00  -0.00
    13   6     0.07  -0.00  -0.00    -0.10  -0.01   0.00    -0.04   0.00   0.00
    14   1     0.05   0.19   0.01    -0.13  -0.15   0.00    -0.16  -0.11  -0.01
    15   8    -0.00   0.01   0.00    -0.00   0.00  -0.01     0.01   0.02   0.04
    16   1    -0.23   0.15  -0.01    -0.08  -0.10   0.01     0.11   0.72  -0.07
    17   1    -0.05   0.12   0.08    -0.09   0.22   0.13     0.05  -0.12  -0.07
    18   1     0.18  -0.02   0.10     0.12  -0.02   0.07     0.05  -0.01   0.02
    19   1    -0.13  -0.17   0.11     0.12   0.16  -0.09     0.00   0.00  -0.00
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00   0.00   0.00
    21   1    -0.30   0.07  -0.01     0.33  -0.06   0.01     0.19  -0.02   0.00
    22   1    -0.25   0.16  -0.00     0.36  -0.24  -0.02     0.09  -0.05   0.03
    23   1    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.10  -0.30   0.03
    24   1     0.12  -0.10  -0.07    -0.21   0.17   0.12    -0.02   0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.6741              1448.6631              1497.6160
 Red. masses --      1.4179                 1.7537                 1.0888
 Frc consts  --      1.7290                 2.1685                 1.4387
 IR Inten    --     18.2855                28.3406                 3.2030
 RamAct Fr= 1--      2.1710                 5.6803                 6.8926
  Dep-P Fr= 1--      0.1360                 0.7102                 0.7474
  Dep-U Fr= 1--      0.2394                 0.8305                 0.8554
 Alpha2 Fr= 1--      0.0348                 0.0039                 0.0003
 Beta2  Fr= 1--      0.0866                 0.7863                 0.9827
 AlphaG Fr= 1--      0.0291                -0.0010                 0.0023
 Gamma2 Fr= 1--      0.6835                 0.7962                 0.4661
 Delta2 Fr= 1--      0.6187                -0.2479                 0.4348
 Raman1 Fr= 1--       8.684                 22.721                 27.570
 ROA1   Fr= 1--      85.419                 68.503                 58.658
 CID1   Fr= 1--       9.837                  3.015                  2.128
 Raman2 Fr= 1--       1.040                  9.435                 11.792
 ROA2   Fr= 1--      11.455                 21.091                  7.707
 CID2   Fr= 1--      11.019                  2.235                  0.654
 Raman3 Fr= 1--       2.079                 18.871                 23.584
 ROA3   Fr= 1--      85.419                 68.503                 58.658
 CID3   Fr= 1--      41.084                  3.630                  2.487
 RC180  Fr= 1--      -0.521                  0.661                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.02  -0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6     0.00   0.07  -0.00    -0.01  -0.10   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.09   0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6    -0.06   0.06  -0.01    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8     0.00  -0.00  -0.01     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.05  -0.02    -0.00   0.05  -0.01     0.00   0.00   0.00
     7   8    -0.01  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1    -0.34   0.20   0.03     0.25  -0.33  -0.03    -0.00  -0.00   0.00
     9   8     0.01  -0.02   0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1    -0.07  -0.20  -0.02     0.09   0.32   0.03     0.00   0.00   0.00
    11   1     0.08   0.38  -0.01    -0.37   0.24  -0.00    -0.01   0.02  -0.00
    12   8    -0.02   0.01   0.02    -0.03   0.00   0.02    -0.00   0.00   0.00
    13   6     0.07  -0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1     0.19  -0.24  -0.00     0.31  -0.08  -0.01     0.08   0.02  -0.00
    15   8     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1     0.09   0.42  -0.04    -0.05  -0.24   0.00    -0.01  -0.01   0.00
    17   1    -0.08   0.19   0.11     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1    -0.16   0.02  -0.08     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1     0.12   0.16  -0.09     0.19   0.25  -0.15     0.01   0.01  -0.01
    20   8    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.01
    21   1    -0.20   0.02  -0.00    -0.19  -0.00  -0.00     0.21   0.66  -0.01
    22   1    -0.27   0.15  -0.02    -0.19   0.11  -0.05    -0.00   0.19   0.68
    23   1    -0.06  -0.17   0.02     0.01   0.02  -0.01     0.00   0.01  -0.00
    24   1     0.12  -0.09  -0.07     0.07  -0.06  -0.05    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2975.5636              2981.6211              2987.4003
 Red. masses --      1.0817                 1.0801                 1.0735
 Frc consts  --      5.6427                 5.6575                 5.6448
 IR Inten    --     12.6283                 4.3988                44.4019
 RamAct Fr= 1--    110.8819               196.8983               307.3882
  Dep-P Fr= 1--      0.1680                 0.1671                 0.1313
  Dep-U Fr= 1--      0.2876                 0.2864                 0.2321
 Alpha2 Fr= 1--      1.6372                 2.9134                 4.9808
 Beta2  Fr= 1--      5.3154                 9.3992                11.8933
 AlphaG Fr= 1--      0.2674                 0.0428                 0.7323
 Gamma2 Fr= 1--      4.0045                 2.2264                -4.7726
 Delta2 Fr= 1--      1.8256                 3.0955                -9.8013
 Raman1 Fr= 1--     443.528                787.593               1229.553
 ROA1   Fr= 1--     442.847                312.790               -771.812
 CID1   Fr= 1--       0.998                  0.397                 -0.628
 Raman2 Fr= 1--      63.785                112.790                142.720
 ROA2   Fr= 1--      81.503                 28.669                -36.132
 CID2   Fr= 1--       1.278                  0.254                 -0.253
 Raman3 Fr= 1--     127.571                225.580                285.440
 ROA3   Fr= 1--     442.847                312.790               -771.812
 CID3   Fr= 1--       3.471                  1.387                 -2.704
 RC180  Fr= 1--      -0.425                 -0.427                 -0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.05     0.00   0.00  -0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   1    -0.01   0.01  -0.27    -0.02   0.04  -0.58     0.00  -0.01   0.07
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.92    -0.00  -0.00   0.03    -0.01  -0.01   0.12
    11   1    -0.00  -0.01  -0.22     0.02   0.02   0.79     0.00   0.00   0.14
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01  -0.01  -0.06
    14   1    -0.00  -0.00   0.10     0.00   0.00  -0.10     0.01  -0.00  -0.48
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.12    -0.00   0.00   0.05    -0.00  -0.00  -0.01
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.02     0.00   0.01  -0.14    -0.01  -0.03   0.84
    22   1    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.05   0.12  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2993.6349              3006.6870              3017.1299
 Red. masses --      1.0826                 1.0832                 1.0855
 Frc consts  --      5.7165                 5.7696                 5.8219
 IR Inten    --     14.5968               155.6936               146.0396
 RamAct Fr= 1--      5.5464                 7.2035               115.0031
  Dep-P Fr= 1--      0.5674                 0.7373                 0.1785
  Dep-U Fr= 1--      0.7240                 0.8488                 0.3030
 Alpha2 Fr= 1--      0.0191                 0.0016                 1.6523
 Beta2  Fr= 1--      0.6693                 1.0190                 5.8074
 AlphaG Fr= 1--      0.0430                -0.0360                -1.2084
 Gamma2 Fr= 1--     -3.1367                 0.4229                -3.5864
 Delta2 Fr= 1--     -1.6762                 0.8904                 2.1259
 Raman1 Fr= 1--      22.186                 28.814                460.012
 ROA1   Fr= 1--    -354.764                 69.093               -276.265
 CID1   Fr= 1--     -15.991                  2.398                 -0.601
 Raman2 Fr= 1--       8.032                 12.228                 69.688
 ROA2   Fr= 1--     -61.872                  3.027               -103.081
 CID2   Fr= 1--      -7.704                  0.248                 -1.479
 Raman3 Fr= 1--      16.063                 24.456                139.377
 ROA3   Fr= 1--    -354.764                 69.093               -276.265
 CID3   Fr= 1--     -22.085                  2.825                 -1.982
 RC180  Fr= 1--       0.448                  0.698                 -0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.07     0.00   0.00  -0.01
     5   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.02     0.00  -0.00  -0.08
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.68     0.01  -0.02   0.26     0.01  -0.02   0.19
     9   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.30    -0.00  -0.01   0.06    -0.01  -0.01   0.19
    11   1     0.01   0.01   0.40     0.01   0.01   0.37     0.00   0.00   0.09
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    13   6     0.00   0.00   0.03    -0.00  -0.01  -0.03    -0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.33    -0.02   0.00   0.78    -0.01  -0.00   0.12
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.19     0.01  -0.00  -0.21    -0.01   0.03   0.95
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1     0.01   0.01  -0.35    -0.00  -0.01   0.34     0.00  -0.00   0.02
    22   1    -0.03  -0.07   0.03     0.04   0.09  -0.03     0.00   0.01  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.8924              3759.7967              3777.7606
 Red. masses --      1.0920                 1.0653                 1.0660
 Frc consts  --      6.2507                 8.8723                 8.9633
 IR Inten    --     23.4868                70.5193                92.7901
 RamAct Fr= 1--    110.3750                97.7615                87.9588
  Dep-P Fr= 1--      0.2944                 0.1405                 0.1632
  Dep-U Fr= 1--      0.4549                 0.2464                 0.2805
 Alpha2 Fr= 1--      1.1511                 1.5480                 1.3149
 Beta2  Fr= 1--      8.3680                 4.0146                 4.1128
 AlphaG Fr= 1--      0.5178                -0.1972                -0.3919
 Gamma2 Fr= 1--      3.2378                -2.6158                -3.4107
 Delta2 Fr= 1--      3.3148                -1.0247                 0.8722
 Raman1 Fr= 1--     441.500                391.046                351.835
 ROA1   Fr= 1--     416.906               -283.909               -299.516
 CID1   Fr= 1--       0.944                 -0.726                 -0.851
 Raman2 Fr= 1--     100.416                 48.176                 49.353
 ROA2   Fr= 1--      51.190                -54.582                -88.833
 CID2   Fr= 1--       0.510                 -1.133                 -1.800
 Raman3 Fr= 1--     200.833                 96.351                 98.707
 ROA3   Fr= 1--     416.906               -283.909               -299.516
 CID3   Fr= 1--       2.076                 -2.947                 -3.034
 RC180  Fr= 1--      -0.090                 -0.507                 -0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.05  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00  -0.00  -0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.67   0.72   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1    -0.01  -0.00  -0.16     0.00   0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.14  -0.07   0.98     0.00  -0.00   0.01
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.04   0.07  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3779.3840              3782.6663              3791.5696
 Red. masses --      1.0657                 1.0660                 1.0661
 Frc consts  --      8.9684                 8.9865                 9.0297
 IR Inten    --     60.2841                78.1738                93.7788
 RamAct Fr= 1--     84.7249               103.3786               125.4832
  Dep-P Fr= 1--      0.0886                 0.1891                 0.1537
  Dep-U Fr= 1--      0.1627                 0.3181                 0.2664
 Alpha2 Fr= 1--      1.5253                 1.4448                 1.9217
 Beta2  Fr= 1--      2.2979                 5.4805                 5.5722
 AlphaG Fr= 1--     -0.0031                -0.4319                 0.5268
 Gamma2 Fr= 1--      1.4563                 0.6249                 2.6031
 Delta2 Fr= 1--     -0.7693                 2.5796                -0.5046
 Raman1 Fr= 1--     338.899                413.515                501.933
 ROA1   Fr= 1--     115.183                142.534                233.753
 CID1   Fr= 1--       0.340                  0.345                  0.466
 Raman2 Fr= 1--      27.575                 65.766                 66.867
 ROA2   Fr= 1--      41.105                 -5.640                 66.512
 CID2   Fr= 1--       1.491                 -0.086                  0.995
 Raman3 Fr= 1--      55.150                131.531                133.734
 ROA3   Fr= 1--     115.183                142.534                233.753
 CID3   Fr= 1--       2.089                  1.084                  1.748
 RC180  Fr= 1--      -0.675                 -0.364                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.05  -0.01  -0.01     0.95   0.15   0.27
    18   1     0.00   0.01  -0.00     0.29   0.94  -0.17     0.01   0.05  -0.01
    19   1     0.05  -0.06  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22   1     0.01   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.00   0.04    -0.00   0.00  -0.01
    24   1     0.45   0.87  -0.18    -0.00  -0.01   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     513564.5 (Joules/Mol)
                                  122.74486 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     91.99   130.50   155.60   201.72   246.71
          (Kelvin)            270.40   324.35   376.69   404.42   435.64
                              441.05   455.32   477.59   511.87   524.31
                              568.07   607.54   639.11   702.18   822.29
                              864.74   908.72   919.08  1271.45  1429.32
                             1455.37  1466.96  1507.75  1532.06  1558.49
                             1564.66  1578.94  1589.07  1592.60  1640.42
                             1666.91  1733.46  1776.43  1779.84  1807.58
                             1842.31  1898.62  1901.96  1932.98  1959.91
                             1972.62  1994.68  2019.94  2042.44  2056.95
                             2064.59  2069.93  2084.30  2154.74  4281.17
                             4289.89  4298.20  4307.17  4325.95  4340.98
                             4484.51  5409.51  5435.35  5437.69  5442.41
                             5455.22
 
 Zero-point correction=                           0.195606 (Hartree/Particle)
 Thermal correction to Energy=                    0.208597
 Thermal correction to Enthalpy=                  0.209541
 Thermal correction to Gibbs Free Energy=         0.157107
 Sum of electronic and zero-point Energies=           -687.328316
 Sum of electronic and thermal Energies=              -687.315325
 Sum of electronic and thermal Enthalpies=            -687.314381
 Sum of electronic and thermal Free Energies=         -687.366815
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.897             48.483            110.356
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.119             42.522             37.951
 Vibration     1          0.597              1.972              4.332
 Vibration     2          0.602              1.956              3.645
 Vibration     3          0.606              1.943              3.302
 Vibration     4          0.615              1.913              2.801
 Vibration     5          0.626              1.878              2.419
 Vibration     6          0.633              1.856              2.248
 Vibration     7          0.650              1.802              1.915
 Vibration     8          0.669              1.743              1.650
 Vibration     9          0.681              1.709              1.527
 Vibration    10          0.694              1.668              1.401
 Vibration    11          0.697              1.661              1.381
 Vibration    12          0.703              1.642              1.328
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.731              1.563              1.141
 Vibration    15          0.738              1.546              1.103
 Vibration    16          0.762              1.481              0.982
 Vibration    17          0.785              1.422              0.884
 Vibration    18          0.804              1.374              0.814
 Vibration    19          0.844              1.277              0.689
 Vibration    20          0.928              1.093              0.501
 Vibration    21          0.959              1.030              0.448
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.544116D-72        -72.264308       -166.394719
 Total V=0       0.510864D+18         17.708306         40.774880
 Vib (Bot)       0.445786D-86        -86.350873       -198.830233
 Vib (Bot)    1  0.322824D+01          0.508966          1.171938
 Vib (Bot)    2  0.226653D+01          0.355362          0.818251
 Vib (Bot)    3  0.189461D+01          0.277520          0.639012
 Vib (Bot)    4  0.145022D+01          0.161435          0.371718
 Vib (Bot)    5  0.117470D+01          0.069927          0.161013
 Vib (Bot)    6  0.106573D+01          0.027646          0.063657
 Vib (Bot)    7  0.875405D+00         -0.057791         -0.133069
 Vib (Bot)    8  0.741207D+00         -0.130060         -0.299475
 Vib (Bot)    9  0.683597D+00         -0.165200         -0.380387
 Vib (Bot)   10  0.627108D+00         -0.202658         -0.466637
 Vib (Bot)   11  0.618083D+00         -0.208953         -0.481133
 Vib (Bot)   12  0.595262D+00         -0.225292         -0.518754
 Vib (Bot)   13  0.562215D+00         -0.250098         -0.575871
 Vib (Bot)   14  0.516640D+00         -0.286812         -0.660410
 Vib (Bot)   15  0.501494D+00         -0.299734         -0.690164
 Vib (Bot)   16  0.453131D+00         -0.343777         -0.791575
 Vib (Bot)   17  0.415109D+00         -0.381838         -0.879215
 Vib (Bot)   18  0.387868D+00         -0.411316         -0.947090
 Vib (Bot)   19  0.340321D+00         -0.468111         -1.077865
 Vib (Bot)   20  0.268886D+00         -0.570431         -1.313466
 Vib (Bot)   21  0.248179D+00         -0.605234         -1.393604
 Vib (V=0)       0.418544D+04          3.621741          8.339366
 Vib (V=0)    1  0.376673D+01          0.575965          1.326208
 Vib (V=0)    2  0.282103D+01          0.450407          1.037101
 Vib (V=0)    3  0.245948D+01          0.390842          0.899948
 Vib (V=0)    4  0.203400D+01          0.308351          0.710003
 Vib (V=0)    5  0.177668D+01          0.249610          0.574748
 Vib (V=0)    6  0.167719D+01          0.224582          0.517119
 Vib (V=0)    7  0.150813D+01          0.178440          0.410873
 Vib (V=0)    8  0.139408D+01          0.144289          0.332238
 Vib (V=0)    9  0.134694D+01          0.129348          0.297834
 Vib (V=0)   10  0.130204D+01          0.114623          0.263930
 Vib (V=0)   11  0.129500D+01          0.112270          0.258511
 Vib (V=0)   12  0.127739D+01          0.106324          0.244820
 Vib (V=0)   13  0.125239D+01          0.097738          0.225051
 Vib (V=0)   14  0.121897D+01          0.085993          0.198005
 Vib (V=0)   15  0.120816D+01          0.082126          0.189102
 Vib (V=0)   16  0.117478D+01          0.069956          0.161080
 Vib (V=0)   17  0.114986D+01          0.060644          0.139638
 Vib (V=0)   18  0.113280D+01          0.054155          0.124696
 Vib (V=0)   19  0.110483D+01          0.043295          0.099691
 Vib (V=0)   20  0.106771D+01          0.028455          0.065521
 Vib (V=0)   21  0.105821D+01          0.024570          0.056574
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    444444433333322222111100000009   8    666544433333332221111    
   98776                   1109887                                    943332087642285330540098864219   8    33078429653100862874096  
   23980                   7774726                                    899500461232006755907477358023   4    92128425462673125810814  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  X XXX  XX XX X XXXXX   X       X    XXXXXXXXXXX      
   XXXXX                    XX X                                          X     X XX      XX X XX  X   X       X    XXX XXX  XX      
   XXXXX                    XX                                                     X      XX X XX  X   X            XXX  XX  XX      
   XX X                     XX                                                            XX X XX  X   X            XXX  XX          
   X  X                     XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX                   XXX  X           
                                                                                           X X XX                   XX   X           
                                                                                           X X XX                                    
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000929475   -0.000738663   -0.001462630
      2        6           0.000518611    0.000536324    0.002221939
      3        6          -0.000534021   -0.002220732    0.001664285
      4        6          -0.000430002   -0.001069449   -0.000611621
      5        8           0.002212304    0.000803342   -0.000113582
      6        6          -0.002540424   -0.000219531   -0.001781797
      7        8          -0.000142396    0.000414140    0.000831118
      8        1          -0.000165074    0.000283204    0.000276913
      9        8           0.000057091   -0.000002828   -0.001109274
     10        1          -0.000287146   -0.000292491   -0.000826856
     11        1           0.000272724    0.000214218   -0.000488392
     12        8           0.000917813    0.001748339   -0.000871306
     13        6          -0.002521429    0.002611796    0.002287554
     14        1          -0.000417917   -0.000080915    0.000038056
     15        8           0.002271935   -0.000020643   -0.000749069
     16        1           0.000371730    0.000444814    0.000171162
     17        1          -0.000653933    0.000479125   -0.000421526
     18        1          -0.000628990   -0.000522437    0.000993555
     19        1          -0.000149654    0.000784315    0.000051630
     20        8           0.002105030   -0.001521341   -0.001181810
     21        1           0.000353317   -0.000242524   -0.000706710
     22        1           0.000201035    0.000008995    0.000044638
     23        1          -0.001512787   -0.000492257    0.001496070
     24        1          -0.000227293   -0.000904801    0.000247653
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002611796 RMS     0.001083416
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121395D+03  0.157672D+01  0.245995D+00
      2   0.157672D+01  0.116809D+03 -0.270481D+00
      3   0.245995D+00 -0.270481D+00  0.973811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.108544D+01 -0.360678D+01 -0.361788D+01
      2  -0.302709D+01  0.106745D+01  0.708312D+01
      3   0.115286D+02 -0.125365D+02 -0.319440D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.306208D+02 -0.167545D+02 -0.959531D+01
      2  -0.256849D+02  0.187197D+02  0.570250D+01
      3  -0.493595D+01 -0.196520D+01  0.389281D+01
      4   0.103348D+01 -0.623217D+01 -0.917476D+00
      5  -0.555165D+01  0.392443D+00  0.129254D+02
      6  -0.548854D+01  0.541096D+01  0.546759D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.279375D+01 -0.273971D+01 -0.118350D+01 -0.325324D+01  0.323894D+01
      2  -0.273971D+01  0.398419D+01  0.256061D+00  0.323894D+01  0.902458D-01
      3  -0.118350D+01  0.256061D+00 -0.988688D+00  0.411279D+00 -0.113742D+01
                 6             7             8             9            10 
      1   0.411279D+00 -0.169512D+01  0.821794D+00  0.784951D-01  0.437395D+01
      2  -0.113742D+01  0.821794D+00 -0.199475D+01 -0.812727D+00  0.234017D+01
      3   0.711951D+00  0.784951D-01 -0.812727D+00  0.113599D+02  0.152489D+01
                11            12            13            14            15 
      1   0.234017D+01  0.152489D+01  0.229584D+01 -0.291018D+01 -0.253405D+00
      2  -0.193937D+01 -0.190325D-01 -0.291018D+01 -0.159080D+01  0.703779D+00
      3  -0.190325D-01 -0.190121D+01 -0.253405D+00  0.703779D+00  0.589737D+00
                16            17            18            19            20 
      1   0.304418D+01 -0.164709D+00  0.153362D+00  0.254650D+01  0.246842D+01
      2  -0.164709D+00  0.919060D+00  0.536129D+00  0.246842D+01 -0.336296D+01
      3   0.153362D+00  0.536129D+00 -0.114058D+02  0.102034D+01  0.197891D+00
                21            22            23            24            25 
      1   0.102034D+01  0.179787D+01 -0.421409D+01 -0.485894D-01  0.145655D+01
      2   0.197891D+00 -0.421409D+01 -0.242698D+01  0.132393D+01  0.551533D+00
      3   0.468425D+00 -0.485894D-01  0.132393D+01  0.152003D+01 -0.273112D+00
                26            27            28            29            30 
      1   0.551533D+00 -0.273112D+00 -0.227811D+01 -0.169965D+00 -0.106891D+01
      2   0.265767D+01  0.304374D+00 -0.169965D+00  0.373695D+01 -0.300853D+00
      3   0.304374D+00 -0.111597D+02 -0.106891D+01 -0.300853D+00 -0.441692D+00
                31            32            33            34            35 
      1   0.847584D+00  0.493422D+01  0.729160D+00 -0.178691D+01  0.168114D+00
      2   0.493422D+01  0.289104D+01 -0.116846D+01  0.168114D+00 -0.189643D+01
      3   0.729160D+00 -0.116846D+01 -0.979584D+00 -0.589749D+00  0.147575D+00
                36            37            38            39            40 
      1  -0.589749D+00  0.697050D+01 -0.254352D+00  0.775018D+00 -0.178565D+01
      2   0.147575D+00 -0.254352D+00 -0.223043D+00 -0.797709D+00 -0.840770D+00
      3   0.114166D+02  0.775018D+00 -0.797709D+00 -0.414489D+00 -0.477157D+00
                41            42            43            44            45 
      1  -0.840770D+00 -0.477157D+00  0.345818D+01  0.695725D+00  0.565394D+00
      2  -0.530697D+01  0.857799D+00  0.695725D+00  0.229308D+01 -0.794627D+00
      3   0.857799D+00  0.811563D+00  0.565394D+00 -0.794627D+00 -0.167347D+01
                46            47            48            49            50 
      1  -0.404338D+01 -0.346573D+01 -0.646301D+00 -0.151985D+01  0.244890D+01
      2  -0.346573D+01  0.122223D+01  0.110125D+01  0.244890D+01  0.174049D+01
      3  -0.646301D+00  0.110125D+01  0.576718D+00  0.569223D-01 -0.217584D+00
                51            52            53            54            55 
      1   0.569223D-01 -0.263596D+01  0.133094D+00  0.314000D+00  0.388673D+01
      2  -0.217584D+00  0.133094D+00 -0.182098D+01  0.596659D+00  0.249642D+01
      3  -0.254092D+01  0.314000D+00  0.596659D+00  0.109544D+02  0.176977D+01
                56            57            58            59            60 
      1   0.249642D+01  0.176977D+01  0.375279D+01 -0.337105D+01 -0.126880D+00
      2  -0.159569D+01 -0.129312D-01 -0.337105D+01  0.780546D+01  0.127918D+01
      3  -0.129312D-01  0.138865D+01 -0.126880D+00  0.127918D+01 -0.257071D+00
                61            62            63            64            65 
      1   0.349784D+01 -0.123373D+01 -0.854435D+00  0.533714D+00  0.388289D+00
      2  -0.123373D+01  0.264699D+01  0.176219D+01  0.388289D+00 -0.716709D+00
      3  -0.854435D+00  0.176219D+01  0.132886D+00 -0.109380D+01  0.563212D-01
                66            67            68            69            70 
      1  -0.109380D+01  0.586072D+00 -0.590836D+00  0.889048D-01 -0.224117D+01
      2   0.563212D-01 -0.590836D+00  0.400761D-01 -0.119068D+01  0.170060D+00
      3   0.179367D-01  0.889048D-01 -0.119068D+01  0.395913D+00 -0.494926D+00
                71            72            73            74            75 
      1   0.170060D+00 -0.494926D+00 -0.933757D+01 -0.215065D+00 -0.122871D+01
      2  -0.211296D+01  0.844144D+00 -0.215065D+00  0.896987D+00 -0.215049D+00
      3   0.844144D+00 -0.967281D+01 -0.122871D+01 -0.215049D+00  0.109393D+01
                76            77            78            79            80 
      1   0.337094D+01  0.973028D+00  0.140951D+00 -0.337623D+01 -0.736721D+00
      2   0.973028D+00  0.525322D+01 -0.122709D+01 -0.736721D+00 -0.170149D+01
      3   0.140951D+00 -0.122709D+01  0.119336D+01 -0.182543D+01 -0.179929D+00
                81            82            83            84            85 
      1  -0.182543D+01 -0.781848D+00 -0.390551D+00  0.118870D+01 -0.440608D+00
      2  -0.179929D+00 -0.390551D+00  0.468411D+00  0.380191D-01  0.485647D+00
      3  -0.122475D+00  0.118870D+01  0.380191D-01 -0.214608D-01  0.344899D-01
                86            87            88            89            90 
      1   0.485647D+00  0.344899D-01  0.212663D+01  0.212791D+00 -0.625460D+00
      2   0.179741D+00  0.121824D+01  0.212791D+00  0.205583D+01 -0.545896D+00
      3   0.121824D+01 -0.517133D+00 -0.625460D+00 -0.545896D+00  0.977781D+01
                91            92            93            94            95 
      1  -0.215741D+00 -0.508326D+00  0.111907D+01 -0.345346D+00  0.680284D+00
      2  -0.508326D+00  0.626604D+00  0.466107D-01  0.680284D+00  0.502699D+00
      3   0.111907D+01  0.466107D-01  0.700948D-01  0.919337D-01  0.119655D+01
                96            97            98            99           100 
      1   0.919337D-01  0.216240D+01 -0.867191D-01  0.351860D+00  0.476352D+01
      2   0.119655D+01 -0.867191D-01  0.218861D+01  0.510318D+00  0.727683D+00
      3   0.327061D-01  0.351860D+00  0.510318D+00  0.985191D+01 -0.116070D+01
               101           102           103           104           105 
      1   0.727683D+00 -0.116070D+01 -0.460689D+00  0.484484D+01  0.187352D+00
      2   0.659354D+01  0.365646D-01  0.484484D+01  0.318469D+01 -0.104643D+01
      3   0.365646D-01  0.447279D+00  0.187352D+00 -0.104643D+01 -0.142772D+01
               106           107           108           109           110 
      1  -0.148195D+01 -0.332497D+00  0.100668D+01  0.271171D+01  0.209588D+00
      2  -0.332497D+00 -0.305839D+01  0.143518D+01  0.209588D+00 -0.305723D+01
      3   0.100668D+01  0.143518D+01  0.256416D-01  0.195084D+01  0.468243D+00
               111           112           113           114           115 
      1   0.195084D+01  0.637047D+00 -0.528666D+01  0.894378D-01  0.282674D+01
      2   0.468243D+00 -0.528666D+01 -0.382902D+01  0.157081D+01 -0.161971D+00
      3   0.146395D+01  0.894378D-01  0.157081D+01 -0.880873D+00 -0.102148D+01
               116           117           118           119           120 
      1  -0.161971D+00 -0.102148D+01  0.120118D+01  0.284033D+00 -0.123346D+01
      2   0.193809D+01 -0.169136D+01  0.284033D+00 -0.413550D+00  0.672965D-01
      3  -0.169136D+01 -0.988595D+01 -0.123346D+01  0.672965D-01  0.802517D+00
               121           122           123           124           125 
      1   0.186466D+00 -0.496954D+00 -0.344420D+00 -0.255261D+01 -0.264882D+00
      2  -0.496954D+00 -0.112783D-01 -0.119892D+01 -0.264882D+00 -0.199408D+01
      3  -0.344420D+00 -0.119892D+01  0.197004D+00  0.132231D+01  0.286127D+00
               126           127           128           129           130 
      1   0.132231D+01 -0.141492D+01 -0.182680D+01  0.313543D+00 -0.195658D+01
      2   0.286127D+00 -0.182680D+01 -0.148380D+01  0.243325D+00 -0.175158D+01
      3  -0.972414D+01  0.313543D+00  0.243325D+00 -0.458259D+00 -0.104106D+00
               131           132           133           134           135 
      1  -0.175158D+01 -0.104106D+00 -0.205569D+00 -0.723632D-01 -0.411616D+00
      2  -0.980849D+01 -0.340749D+00 -0.723632D-01 -0.214518D+01  0.719940D+00
      3  -0.340749D+00  0.149756D+01 -0.411616D+00  0.719940D+00 -0.680373D+01
               136           137           138           139           140 
      1   0.169218D+00  0.146031D+00 -0.133408D+01  0.127964D+00 -0.519889D+00
      2   0.146031D+00 -0.335623D+00 -0.248012D+00 -0.519889D+00 -0.112812D+01
      3  -0.133408D+01 -0.248012D+00 -0.191415D+00 -0.157779D-01 -0.117462D+01
               141           142           143           144           145 
      1  -0.157779D-01 -0.219265D+01 -0.560509D+00 -0.587221D+00 -0.985878D+01
      2  -0.117462D+01 -0.560509D+00 -0.217019D+01 -0.182387D+01  0.174906D+01
      3  -0.420964D+00 -0.587221D+00 -0.182387D+01 -0.974237D+01 -0.676509D+00
               146           147           148           149           150 
      1   0.174906D+01 -0.676509D+00 -0.118647D+00 -0.602908D+00 -0.871728D-01
      2  -0.241683D+01 -0.130181D+00 -0.602908D+00  0.109461D+00 -0.217932D+00
      3  -0.130181D+00 -0.170747D+01 -0.871728D-01 -0.217932D+00  0.272627D+00
               151           152           153           154           155 
      1  -0.194994D+01  0.259111D+00 -0.872576D+00 -0.277231D+01 -0.207647D+01
      2   0.259111D+00 -0.601164D+00  0.247585D+00 -0.207647D+01 -0.262346D+01
      3  -0.872576D+00  0.247585D+00 -0.142951D+00  0.108710D+00  0.125748D-01
               156           157           158           159           160 
      1   0.108710D+00 -0.491282D+01 -0.337652D+01 -0.143719D+00  0.716367D+00
      2   0.125748D-01 -0.337652D+01 -0.666358D+01  0.349983D+00  0.394677D+00
      3  -0.936205D+00 -0.143719D+00  0.349983D+00 -0.133112D+01 -0.556750D+00
               161           162           163           164           165 
      1   0.394677D+00 -0.556750D+00 -0.249229D+01  0.154119D+01  0.323855D+00
      2   0.868478D+00 -0.512677D+00  0.154119D+01 -0.447619D+01 -0.472324D-01
      3  -0.512677D+00 -0.222400D-01  0.323855D+00 -0.472324D-01 -0.601522D+00
               166           167           168           169           170 
      1   0.228558D+01 -0.169643D+01 -0.176246D+00  0.486049D+00 -0.260167D+00
      2  -0.169643D+01  0.757700D+01  0.172672D+00 -0.260167D+00  0.926630D+00
      3  -0.176246D+00  0.172672D+00  0.150122D+01 -0.173431D+00  0.693515D+00
               171           172           173           174           175 
      1  -0.173431D+00  0.859450D+01 -0.259093D+01 -0.148720D+01 -0.968408D+00
      2   0.693515D+00 -0.259093D+01  0.399207D+01 -0.150224D+00  0.421030D+01
      3  -0.821137D-01 -0.148720D+01 -0.150224D+00  0.228170D+00 -0.282944D-01
               176           177           178           179           180 
      1   0.421030D+01 -0.282944D-01 -0.272270D+01  0.750996D+00  0.201422D+01
      2   0.223525D+01 -0.836969D+00  0.750996D+00 -0.175595D+01 -0.743031D+00
      3  -0.836969D+00  0.121161D+01  0.201422D+01 -0.743031D+00 -0.582960D+00
               181           182           183           184           185 
      1  -0.477394D+00  0.324122D+00  0.120590D+01 -0.336035D+00  0.833251D+00
      2   0.324122D+00  0.304512D+00 -0.162292D+00  0.833251D+00  0.533952D+00
      3   0.120590D+01 -0.162292D+00 -0.410599D+00 -0.427330D-01  0.110346D+01
               186           187           188           189           190 
      1  -0.427330D-01  0.260675D+01 -0.240989D+00  0.148180D+01  0.292672D+01
      2   0.110346D+01 -0.240989D+00  0.183089D+01  0.131651D+01  0.243212D+01
      3  -0.519526D-01  0.148180D+01  0.131651D+01  0.102693D+02 -0.864486D+00
               191           192           193           194           195 
      1   0.243212D+01 -0.864486D+00  0.372018D+01  0.317483D+01 -0.271816D+00
      2   0.261230D+01 -0.259574D+00  0.317483D+01  0.682806D+01 -0.101954D+01
      3  -0.259574D+00  0.701424D+00 -0.271816D+00 -0.101954D+01  0.115056D+01
               196           197           198           199           200 
      1  -0.185204D+01 -0.483361D+00  0.967798D+00 -0.263887D-01 -0.318522D+00
      2  -0.483361D+00 -0.189316D+01  0.119168D+01 -0.318522D+00  0.243075D+00
      3   0.967798D+00  0.119168D+01 -0.117394D+00  0.440513D+00 -0.273166D+00
               201           202           203           204           205 
      1   0.440513D+00 -0.483618D+00 -0.323260D-01  0.366597D-01  0.171504D+01
      2  -0.273166D+00 -0.323260D-01 -0.134081D+01  0.766427D+00  0.332140D+00
      3   0.841254D+00  0.366597D-01  0.766427D+00 -0.102138D+01 -0.447479D-01
               206           207           208           209           210 
      1   0.332140D+00 -0.447479D-01 -0.218574D+01 -0.550696D+00  0.236516D+00
      2   0.386751D+01 -0.292846D+01 -0.550696D+00 -0.203642D+01  0.920999D-01
      3  -0.292846D+01  0.728318D+01  0.236516D+00  0.920999D-01 -0.273398D-01
               211           212           213           214           215 
      1  -0.302683D+01 -0.134050D+00  0.253227D+00  0.596128D+00  0.108587D+00
      2  -0.134050D+00 -0.686533D+01  0.233551D+00  0.108587D+00  0.951890D+00
      3   0.253227D+00  0.233551D+00 -0.165711D+01  0.750164D-01 -0.559357D+00
               216 
      1   0.750164D-01
      2  -0.559357D+00
      3   0.663252D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124187D+01  0.268609D+00 -0.140099D+01 -0.174580D+01  0.631927D+00
      2   0.149764D+01 -0.454234D+00  0.428167D+00 -0.311477D+00  0.230191D+01
      3  -0.348606D+01 -0.182878D+01 -0.106913D+01  0.333338D+01  0.167061D+01
                 6             7             8             9            10 
      1   0.350522D-01 -0.244038D+00  0.407068D+01 -0.864936D+01  0.678589D+00
      2   0.937284D+00 -0.278045D+01  0.608497D+00 -0.101384D+02 -0.200500D+01
      3  -0.277492D+00  0.125749D+00 -0.170227D+01 -0.786333D+00  0.803678D+00
                11            12            13            14            15 
      1  -0.110679D+01  0.879673D-01  0.574157D+00 -0.153301D+01 -0.166044D+01
      2  -0.138684D+01  0.100669D+01  0.133276D+00 -0.247913D+01 -0.240164D+01
      3  -0.604364D+01 -0.781670D+00 -0.112830D+00 -0.332258D+00  0.203516D+01
                16            17            18            19            20 
      1  -0.715244D+00  0.238752D+01 -0.520577D+01 -0.928675D+00 -0.363635D+00
      2  -0.355325D+01 -0.138625D+01  0.132845D+02 -0.117553D+01  0.441051D+00
      3  -0.166958D+01  0.156980D+01  0.787583D+00  0.147863D+01  0.657923D+00
                21            22            23            24            25 
      1   0.121736D+01 -0.370008D+00 -0.193305D+01  0.131088D+00  0.148139D+01
      2   0.155705D+01 -0.107933D+01  0.403866D+00 -0.626421D+00 -0.320084D+01
      3   0.134899D+01  0.611216D+01 -0.466380D+01 -0.135914D+01  0.147244D+01
                26            27            28            29            30 
      1   0.279771D+01  0.105230D+02  0.916010D+00 -0.205083D+00  0.192480D+01
      2  -0.292929D+00 -0.235512D+01 -0.230573D+01 -0.458516D+00 -0.687074D-01
      3   0.420934D+00 -0.702769D+00 -0.607408D+01 -0.985907D+01 -0.726501D+00
                31            32            33            34            35 
      1  -0.109195D+01  0.144394D+01  0.224202D+01  0.194383D+01  0.303104D+01
      2  -0.913445D+00 -0.160751D+01 -0.249947D+01 -0.476603D+01  0.206116D+01
      3  -0.735641D+01 -0.295834D+01  0.228002D+01 -0.234630D+00  0.127641D+01
                36            37            38            39            40 
      1  -0.461370D+01  0.104733D+01  0.314118D+00 -0.348998D+01  0.933442D+00
      2   0.175801D+02  0.892731D+00  0.324733D+00  0.102552D+02  0.144932D+00
      3  -0.489093D+00 -0.938684D+01 -0.831775D+01 -0.811684D+00  0.130371D+02
                41            42            43            44            45 
      1   0.637321D+00 -0.733372D+01  0.266867D+01  0.522747D+01  0.231885D+00
      2   0.114091D+01  0.278101D+01 -0.631203D+01 -0.277951D+01  0.101556D+01
      3   0.574435D+01 -0.872224D+00 -0.390723D+01 -0.259345D+01 -0.271185D+00
                46            47            48            49            50 
      1  -0.534858D+00  0.863696D-02  0.227927D+01 -0.719873D+00 -0.110956D+01
      2   0.152211D+01  0.192162D+00 -0.612580D+01 -0.578506D+00  0.153931D+01
      3   0.339100D+01  0.651889D+01  0.109393D+01  0.326772D+01  0.204483D+01
                51            52            53            54            55 
      1  -0.223264D+00 -0.122309D+01  0.326589D+01  0.140043D+02 -0.343742D+01
      2   0.604749D-02 -0.393869D+01 -0.207685D+01 -0.108967D+02 -0.695462D+01
      3  -0.145485D+01  0.350153D+01 -0.165609D+01 -0.135646D+00  0.161460D+02
                56            57            58            59            60 
      1  -0.113802D+00  0.392936D+00  0.135981D+01 -0.215672D+01 -0.634199D+01
      2   0.174539D+01  0.188202D+01  0.686538D-01 -0.207711D+01 -0.271454D+01
      3  -0.194267D+01  0.291497D+01  0.904587D+01  0.972743D+01  0.124512D+01
                61            62            63            64            65 
      1   0.692048D+00  0.132351D+01 -0.244257D+01  0.855167D+00 -0.648899D-01
      2  -0.458001D+01 -0.196662D+01 -0.249264D+01  0.166351D+01 -0.228156D+00
      3   0.595537D+01  0.400571D+01  0.158538D+01  0.848571D+00 -0.143149D+01
                66            67            68            69            70 
      1  -0.568237D+00 -0.822743D-01  0.154687D+01 -0.968708D+00 -0.211430D-01
      2   0.944071D+00 -0.706966D-01  0.945734D+00  0.196652D+00 -0.435082D+01
      3  -0.917385D+00  0.110354D+01 -0.453153D+00 -0.116601D+01 -0.229003D+01
                71            72            73            74            75 
      1   0.409870D+01  0.886488D+01 -0.155037D+01 -0.474486D+00 -0.369369D+00
      2  -0.466930D+00  0.102531D+02  0.365528D+01  0.197034D+01  0.669370D+01
      3  -0.213088D+01  0.631460D+00  0.797318D+01 -0.417524D+01  0.249376D+00
                76            77            78            79            80 
      1  -0.250835D+01 -0.304047D+01 -0.139603D+01  0.315034D+00  0.476896D+01
      2   0.929988D+00  0.396029D+01 -0.236678D+01 -0.289423D+00 -0.296089D+00
      3   0.518913D+01  0.203224D+02 -0.257987D+01  0.140611D+01 -0.576710D+01
                81            82            83            84            85 
      1  -0.695674D+00  0.418943D+00  0.430815D+00  0.440400D+00  0.562003D+00
      2   0.291886D+01 -0.207476D+01 -0.425431D-02  0.461824D+00  0.306537D+00
      3   0.822255D+00 -0.767778D-01 -0.255969D+00 -0.353622D+00  0.182944D+01
                86            87            88            89            90 
      1   0.689305D+00 -0.170493D+01  0.535057D-01  0.449659D+01  0.371300D+01
      2  -0.187579D+01  0.331625D+00 -0.387670D+01  0.614083D+00 -0.140987D+02
      3   0.312431D+00  0.147966D+01 -0.647482D+00  0.316439D+01  0.166414D-01
                91            92            93            94            95 
      1  -0.176087D+01  0.102043D+00  0.205709D+00 -0.153332D+00 -0.152508D+01
      2   0.442581D+00  0.665513D+00  0.770218D+00  0.608063D+00  0.301908D+00
      3   0.283628D-01 -0.176304D+01  0.132953D+01  0.570617D+00  0.435529D+00
                96            97            98            99           100 
      1  -0.564826D+00 -0.486339D+00  0.405424D+01 -0.112721D+02  0.273301D+01
      2  -0.347688D+00 -0.519720D+01  0.194199D+00  0.228584D+01  0.132629D+00
      3  -0.225496D+00  0.276999D+01 -0.989773D+00  0.140438D+00  0.152127D+02
               101           102           103           104           105 
      1  -0.119552D+01 -0.393782D+01 -0.822867D+00  0.487161D+01 -0.465382D+01
      2  -0.155572D+01  0.395736D+01  0.635950D+00  0.451084D+00  0.175947D+01
      3  -0.114482D+02 -0.211113D+01 -0.544762D+00  0.951669D+01  0.147477D+01
               106           107           108           109           110 
      1  -0.265639D+01  0.218960D+01  0.255821D+01 -0.198271D+01 -0.144244D+01
      2  -0.301671D+01  0.126558D+01 -0.609785D+00  0.420996D+01  0.151307D+01
      3  -0.492202D+01  0.154747D+01  0.116840D+01  0.402516D+01  0.738689D+01
               111           112           113           114           115 
      1  -0.277952D+01 -0.290338D+01 -0.399685D+01  0.963212D+00  0.183553D+00
      2   0.210225D+01  0.221279D+01  0.575919D+01  0.204537D+00 -0.714740D+01
      3  -0.677617D+00  0.168695D+02  0.666958D+01 -0.417829D+01  0.713563D+00
               116           117           118           119           120 
      1   0.232064D+01  0.583968D+01  0.345295D+00  0.460207D+00  0.337433D+00
      2  -0.431827D+01 -0.239799D+02 -0.136757D+01  0.257723D+00  0.209878D+01
      3  -0.560590D+01  0.430250D+01 -0.100507D+00  0.280396D+00 -0.490419D+00
               121           122           123           124           125 
      1   0.178025D+00  0.988329D-01 -0.768592D+00 -0.129576D+00  0.447221D+01
      2  -0.507539D+00 -0.188731D+01  0.292420D+00 -0.382167D+01  0.797558D-01
      3   0.276908D+01 -0.786471D+00  0.176727D+01 -0.301817D+00  0.342767D+01
               126           127           128           129           130 
      1   0.289897D+01  0.266731D+00  0.139988D+00 -0.234774D+01  0.243865D+00
      2  -0.134052D+02  0.381659D-01 -0.180632D+01  0.565665D+01  0.536135D+00
      3  -0.115658D+01  0.289814D+01 -0.257979D+01  0.740479D+00  0.108496D+02
               131           132           133           134           135 
      1   0.278086D+00 -0.543025D+01 -0.190717D+00  0.627050D+01 -0.189294D+02
      2   0.193856D-01 -0.259828D-02 -0.369710D+00 -0.663247D+00  0.581192D+01
      3  -0.522473D+01 -0.131808D-01  0.501554D+00 -0.581683D+00  0.207863D+01
               136           137           138           139           140 
      1  -0.228309D+01 -0.218341D+00 -0.506123D+00  0.312251D+00 -0.130363D+01
      2   0.916894D+00  0.184835D+00  0.988116D+00  0.682614D+00  0.783339D+00
      3   0.663662D-01 -0.194919D+01  0.224051D+01  0.268679D+00  0.314227D+00
               141           142           143           144           145 
      1  -0.104540D+01 -0.287478D+00  0.276809D+01 -0.133827D+02  0.199397D+01
      2   0.587085D-01 -0.449956D+01  0.106394D+01  0.812926D+01  0.552087D+01
      3  -0.606505D+00  0.371042D+01 -0.599947D+00  0.635909D+00 -0.199692D+02
               146           147           148           149           150 
      1   0.420096D-01  0.307899D+01  0.251344D+00  0.556930D+00 -0.131105D+00
      2  -0.353181D+00  0.514264D+01  0.348531D+00  0.472729D+00 -0.250813D+00
      3  -0.408604D+01 -0.219834D+01 -0.223073D+01 -0.272258D+01 -0.840513D+00
               151           152           153           154           155 
      1   0.171448D+01  0.321469D+00  0.332666D+00  0.899553D+00  0.108348D+01
      2   0.216154D+01 -0.582928D+00  0.832489D+00 -0.846744D+00 -0.721090D+00
      3  -0.444635D+01 -0.145108D+01 -0.135478D+01 -0.463567D+01 -0.628011D+01
               156           157           158           159           160 
      1  -0.120285D+01  0.160329D+01  0.296996D+01 -0.238766D+01 -0.826777D+00
      2   0.248085D+01 -0.104261D+01 -0.255712D+01  0.432462D+01  0.683579D+00
      3  -0.108715D+00 -0.441411D+01 -0.215927D+02  0.146521D+01  0.795604D-01
               161           162           163           164           165 
      1  -0.870539D-01  0.310144D+00 -0.169903D+01  0.158165D+01  0.256681D+01
      2   0.174131D+01 -0.246297D-01 -0.306313D+00  0.672140D+00 -0.190603D+00
      3   0.311874D+01 -0.106200D+01 -0.121649D+02  0.839668D+01  0.137602D+01
               166           167           168           169           170 
      1   0.138905D+01 -0.231705D+01 -0.451365D+01  0.789840D+00 -0.130321D+01
      2   0.455304D+00 -0.952784D+00 -0.846466D-01 -0.903219D+00  0.835335D-01
      3   0.995382D+01 -0.117863D+02 -0.767681D+00  0.240062D+01 -0.149633D+01
               171           172           173           174           175 
      1  -0.125145D+00 -0.490653D+00 -0.693400D+00  0.387059D+01  0.307800D+00
      2  -0.239749D+00 -0.478173D+01  0.979673D+00  0.778055D+01 -0.141342D+01
      3  -0.985501D+00  0.135998D+01 -0.210627D+02  0.114841D+00 -0.117825D+02
               176           177           178           179           180 
      1  -0.251674D+01 -0.409717D+01 -0.830280D-01  0.479093D+01 -0.217662D+01
      2  -0.287384D+01 -0.177551D+00  0.226645D+01 -0.226393D+01 -0.332428D+01
      3  -0.104562D+02  0.307874D+01  0.401662D+00  0.671746D+01  0.195993D+01
               181           182           183           184           185 
      1  -0.302254D+00  0.986131D-02  0.226842D-02  0.432645D+00 -0.175324D+00
      2   0.424436D+01 -0.895630D+00 -0.479442D+00 -0.259411D+00  0.281375D+01
      3  -0.139902D+01 -0.136454D+01  0.886196D+00 -0.110576D+01 -0.978306D+00
               186           187           188           189           190 
      1  -0.170744D+00 -0.108992D+01  0.392850D+01 -0.448781D+01  0.163671D+01
      2  -0.133820D+00 -0.158176D+01  0.401965D+01  0.268015D+02 -0.281299D+01
      3  -0.273600D+01  0.188981D+01 -0.501685D+01 -0.327832D+01 -0.462538D+01
               191           192           193           194           195 
      1   0.946847D+00 -0.145099D+01  0.130778D+01  0.272144D+01 -0.303183D+01
      2  -0.126970D+01  0.325060D+01 -0.134923D+01 -0.396347D+01  0.406864D+01
      3  -0.711729D+01  0.299563D+00 -0.396717D+01 -0.191731D+02  0.290650D+01
               196           197           198           199           200 
      1  -0.940695D+00 -0.200248D+00  0.539148D+00  0.141664D+01 -0.401661D+00
      2   0.191242D+01  0.350205D+01 -0.815536D+00 -0.104767D+01 -0.110909D+00
      3  -0.255443D+00  0.551912D+01 -0.286533D+01 -0.648669D+00  0.517021D+00
               201           202           203           204           205 
      1   0.243255D+01  0.415258D-01  0.266068D+01 -0.267213D+01 -0.148682D+00
      2  -0.914959D+00 -0.570220D+00 -0.107488D+01  0.106563D+01 -0.256111D+01
      3  -0.151611D+01  0.113165D+01 -0.115400D+01  0.694500D+00 -0.453549D+01
               206           207           208           209           210 
      1  -0.611348D+01  0.217924D+02  0.520122D+00  0.891773D+00 -0.783460D+00
      2   0.274072D+01 -0.663730D+01  0.106588D+01  0.162702D+00 -0.986888D+00
      3   0.246179D+01 -0.279794D+01  0.754946D+01  0.934387D+01 -0.696877D+00
               211           212           213           214           215 
      1   0.776900D+00  0.263582D+01 -0.296540D+01 -0.132462D-01 -0.476462D+00
      2   0.103311D+01  0.455555D+00 -0.442068D+01 -0.976845D+00 -0.166792D+01
      3   0.688239D+01  0.263108D+02 -0.122529D+01 -0.171830D+01 -0.363813D+01
               216 
      1   0.237412D+00
      2  -0.194856D-01
      3   0.175634D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.612101D+01 -0.261486D+01  0.125546D+00  0.698740D+01 -0.424857D+00
      2  -0.631920D+01  0.125485D+02 -0.208290D+01  0.162991D+01 -0.734056D+01
      3   0.198195D+00 -0.993364D+01  0.195736D+01 -0.861730D+01  0.776542D+01
      4   0.810668D+01 -0.158113D+02 -0.142724D+01 -0.189204D+02  0.113293D+02
      5   0.429886D+01 -0.193289D+01 -0.362173D+01 -0.435200D+01  0.130534D+01
      6  -0.104708D+01  0.343466D+01  0.435846D+01  0.330018D+01 -0.416368D+01
                 6             7             8             9            10 
      1   0.110472D+01  0.432071D+01  0.710000D+00  0.105351D+02 -0.249486D+02
      2   0.522085D+00  0.811856D+00 -0.709093D+01  0.810652D+01  0.127949D+02
      3  -0.162681D+01 -0.513257D+01  0.638093D+01 -0.186416D+02  0.121537D+02
      4   0.228143D+01 -0.487172D+01  0.790491D+01  0.189317D+01 -0.834020D+01
      5   0.368683D+01 -0.829775D-01  0.250130D+01 -0.243166D+02 -0.773225D+01
      6  -0.636432D+01  0.140613D+01 -0.180867D+01  0.221116D+02 -0.977086D+00
                11            12            13            14            15 
      1  -0.812191D+01 -0.110313D+01 -0.122342D+02  0.829720D+01  0.163293D+01
      2   0.378887D+01  0.484438D+01  0.765981D+01 -0.302134D+01 -0.656802D+00
      3   0.433303D+01 -0.374125D+01  0.457441D+01 -0.527586D+01 -0.976124D+00
      4  -0.452099D+01 -0.465204D+00  0.711768D+01  0.215887D+01 -0.115625D+01
      5  -0.125325D+01 -0.420820D+01 -0.102064D+00 -0.122238D+00 -0.564453D+01
      6  -0.266382D+01 -0.641202D+00 -0.102712D+01 -0.926319D+00 -0.285180D+00
                16            17            18            19            20 
      1  -0.141173D+02 -0.179641D+01  0.108055D+02 -0.937638D+01  0.927739D+01
      2   0.707255D+01 -0.982317D+00  0.834296D+01  0.726199D+01 -0.149218D+02
      3   0.704474D+01  0.277873D+01 -0.191484D+02  0.211439D+01  0.564442D+01
      4  -0.143866D+01 -0.201364D+01 -0.158256D+01  0.202929D+01 -0.353219D+01
      5  -0.971777D+00 -0.220551D+01  0.335792D+02  0.213373D+01  0.152778D+01
      6   0.487667D-01 -0.642647D+00  0.125001D+02  0.798045D+00  0.173345D+01
                21            22            23            24            25 
      1  -0.801056D+00  0.540052D+01  0.606165D+01 -0.414702D+01 -0.107332D+01
      2  -0.142971D+01 -0.114691D+02 -0.140573D+02  0.170617D+00  0.419056D+01
      3   0.223077D+01  0.606862D+01  0.799563D+01  0.397640D+01 -0.311725D+01
      4   0.120929D+01 -0.817600D+01 -0.126381D+02 -0.652079D+00  0.407264D+01
      5  -0.206538D+01  0.226434D+01  0.121952D+01 -0.164794D+01  0.127597D+00
      6  -0.285241D+01 -0.402267D+00  0.526565D+01 -0.606791D+01 -0.136130D+01
                26            27            28            29            30 
      1  -0.371996D+01  0.926633D+01 -0.116951D+02 -0.822722D+00 -0.470129D+01
      2   0.954940D+01  0.116228D+02  0.440632D+01 -0.325752D+00  0.175465D+01
      3  -0.582944D+01 -0.208891D+02  0.728880D+01  0.114847D+01  0.294664D+01
      4   0.375961D+01 -0.541302D+00 -0.818267D+01 -0.866823D+00 -0.215750D+01
      5  -0.208700D+00 -0.608250D+01 -0.539917D+01 -0.109825D+01 -0.559849D+01
      6   0.785653D+00 -0.266560D+02 -0.273981D+01  0.633090D-01 -0.389556D+01
                31            32            33            34            35 
      1  -0.175525D+00  0.192604D+02 -0.306133D+00 -0.428590D+01 -0.222277D+00
      2   0.116609D+01 -0.194042D+02 -0.320701D+01 -0.127741D+01 -0.221879D+01
      3  -0.990567D+00  0.143770D+00  0.351315D+01  0.556331D+01  0.244107D+01
      4  -0.609111D+01  0.652669D+00 -0.256974D+01  0.178779D+01 -0.150760D+01
      5   0.247532D+01 -0.179762D+01 -0.727129D+01 -0.364184D+01  0.627689D+00
      6  -0.226210D+00  0.127906D+01 -0.800642D+01 -0.197508D+01 -0.793765D+00
                36            37            38            39            40 
      1   0.938726D+01  0.206223D+02 -0.389982D+01 -0.101556D+01 -0.414417D+00
      2   0.101372D+02 -0.141995D+02  0.391531D+01 -0.126002D+01 -0.183573D+00
      3  -0.195244D+02 -0.642276D+01 -0.154903D-01  0.227558D+01  0.597990D+00
      4   0.109368D+01 -0.763601D+01  0.149777D+02 -0.167438D+01  0.154644D+02
      5   0.346146D+02  0.218168D+01 -0.267886D+00  0.189266D+02 -0.200711D+01
      6   0.597087D+01 -0.555992D+00  0.267280D+01  0.830627D+01  0.159249D+00
                41            42            43            44            45 
      1  -0.155576D+02  0.309236D+01  0.630783D+01  0.408056D+01 -0.671652D+01
      2   0.217536D+02 -0.152073D+00 -0.596907D+01 -0.433001D+01 -0.539226D+01
      3  -0.619602D+01 -0.294029D+01 -0.338759D+00  0.249455D+00  0.121088D+02
      4  -0.126058D+01  0.130384D+01 -0.481951D+01  0.198223D+01 -0.255541D+01
      5   0.416950D+00  0.736704D+01  0.762768D+01 -0.226576D+00  0.107703D+01
      6  -0.354350D+01  0.130902D+02 -0.516886D+00  0.756411D+01  0.543654D+00
                46            47            48            49            50 
      1  -0.200358D+02  0.966935D+01  0.601571D+01 -0.262155D+01  0.958906D+01
      2   0.186519D+02 -0.117416D+02 -0.148645D+01 -0.293734D+01 -0.240082D+02
      3   0.138391D+01  0.207228D+01 -0.452926D+01  0.555889D+01  0.144192D+02
      4   0.451082D+01 -0.961596D+01  0.550546D+00 -0.144923D+02 -0.127070D+02
      5   0.246423D+00  0.729280D-01 -0.142968D+02  0.170498D+01  0.849886D+00
      6  -0.382327D+00 -0.342671D+01 -0.688028D+01  0.898718D+00  0.128009D+01
                51            52            53            54            55 
      1  -0.177545D+00  0.261852D+01 -0.128165D+01  0.119024D+02 -0.236555D+02
      2  -0.246675D+00  0.517130D+00  0.103075D+02  0.112591D+02  0.181529D+02
      3   0.424221D+00 -0.313565D+01 -0.902586D+01 -0.231615D+02  0.550261D+01
      4   0.184248D+01  0.449158D+01  0.137559D-01 -0.478159D+00  0.508837D+01
      5  -0.539234D+00 -0.392944D+01 -0.230202D+01 -0.183177D+02 -0.866375D+01
      6  -0.647854D+01 -0.163278D+01 -0.379462D+01 -0.339136D+02  0.789636D+01
                56            57            58            59            60 
      1  -0.135205D+01 -0.599609D+01 -0.750658D+01 -0.112595D+02 -0.459969D+01
      2  -0.530658D+01  0.550055D+01 -0.407089D+01  0.306528D+02  0.268917D+01
      3   0.665863D+01  0.495543D+00  0.115775D+02 -0.193934D+02  0.191052D+01
      4   0.204635D+02  0.565211D+01  0.299680D+02 -0.363892D+02 -0.503474D+01
      5   0.179017D+01  0.667966D+01  0.235869D+01 -0.524145D+01 -0.488136D+01
      6  -0.243709D+01 -0.111610D+01 -0.242490D+01  0.769083D+01  0.127813D+02
                61            62            63            64            65 
      1  -0.120225D+02 -0.262935D+01 -0.721153D+01 -0.411412D+00 -0.383450D+00
      2   0.480142D+01  0.793977D+01 -0.525566D+00 -0.259278D+01 -0.735775D+00
      3   0.722103D+01 -0.531042D+01  0.773709D+01  0.300419D+01  0.111922D+01
      4   0.148407D+02 -0.128161D+02 -0.737261D+01 -0.574108D+00  0.401965D+01
      5   0.886229D+01 -0.794658D+01 -0.556622D+01  0.297207D+01 -0.506987D+00
      6  -0.431249D+01  0.136344D+02  0.490762D+01 -0.246095D+01 -0.518589D+00
                66            67            68            69            70 
      1   0.299845D+01 -0.390861D+00 -0.295154D+01  0.223820D+01  0.404211D+01
      2  -0.163932D+01 -0.683909D+00  0.800332D+00 -0.286867D+01 -0.265909D+01
      3  -0.135914D+01  0.107477D+01  0.215120D+01  0.630473D+00 -0.138302D+01
      4  -0.255686D+01  0.392694D+01 -0.129099D+01  0.297905D+01 -0.463486D+01
      5   0.722339D+01  0.139257D+00  0.268211D+01 -0.263066D+00  0.598066D+01
      6   0.797430D+00  0.233044D+00 -0.339261D+01  0.776816D+01 -0.135528D+01
                71            72            73            74            75 
      1   0.334222D+01 -0.177051D+02  0.632461D+02  0.465276D+00  0.429913D+01
      2  -0.330024D+01 -0.162493D+02 -0.393040D+02 -0.200275D+01 -0.615639D+01
      3  -0.419767D-01  0.339544D+02 -0.239421D+02  0.153748D+01  0.185726D+01
      4   0.505156D+01 -0.161457D+01  0.509919D+01  0.465479D+01  0.199793D+01
      5  -0.196038D+01  0.230857D+02  0.103690D+02  0.175605D+01  0.132328D+02
      6   0.653072D+01 -0.217935D+02  0.136578D+01  0.138120D+01  0.535260D+00
                76            77            78            79            80 
      1  -0.145984D+02 -0.577396D+01 -0.189040D+01  0.176217D+02  0.212960D+01
      2   0.509223D+01 -0.983122D+00  0.189531D+01 -0.109820D+02  0.964658D+00
      3   0.950617D+01  0.675708D+01 -0.490563D-02 -0.663971D+01 -0.309426D+01
      4  -0.786538D+01 -0.300401D+02  0.535120D+01  0.641506D+01  0.965957D+01
      5   0.375408D+00  0.636011D+01 -0.337148D+01  0.178365D+02  0.950446D+00
      6  -0.144851D+00  0.109217D+01  0.469534D+01  0.255371D+01  0.493999D+01
                81            82            83            84            85 
      1   0.433280D+01  0.275749D+01  0.155025D+01 -0.520059D+01  0.152547D+01
      2  -0.113634D+02 -0.453635D+01 -0.115744D+01  0.284695D+01 -0.971855D+00
      3   0.703056D+01  0.177885D+01 -0.392809D+00  0.235364D+01 -0.553611D+00
      4   0.130632D+01  0.133295D+01  0.105885D+01 -0.865384D+00  0.105803D+01
      5   0.611182D+01 -0.408484D+01 -0.195492D+00  0.653343D+01  0.988361D-01
      6   0.179805D+01 -0.885896D+00  0.338133D+00 -0.528153D+00 -0.624413D+00
                86            87            88            89            90 
      1  -0.496047D+01  0.164254D+01 -0.719461D+01  0.110018D+01 -0.174695D+02
      2   0.942159D+00 -0.110887D+01  0.522048D+01 -0.902502D+00 -0.170166D+02
      3   0.401831D+01 -0.533671D+00  0.197414D+01 -0.197677D+00  0.344861D+02
      4  -0.102351D+00 -0.393343D+01 -0.253211D+01 -0.564299D+01  0.120366D+01
      5  -0.429931D+01  0.930017D+00  0.690165D+01  0.202604D+01 -0.322096D+02
      6  -0.186379D+01  0.869367D+01  0.474885D+00  0.590877D+01 -0.950185D+01
                91            92            93            94            95 
      1   0.172904D+01 -0.138914D+01  0.105505D+01 -0.200325D+01 -0.403999D+01
      2  -0.490137D+01  0.189107D+01 -0.234440D+00  0.225104D+01  0.150998D+01
      3   0.317233D+01 -0.501928D+00 -0.820612D+00 -0.247791D+00  0.253001D+01
      4  -0.493261D+00  0.184065D+01  0.245466D+01  0.230380D+01  0.136155D+01
      5   0.918595D+00  0.271381D+00  0.702892D+01 -0.145125D+00  0.739489D+00
      6   0.318761D+01 -0.103892D+00 -0.264403D+00  0.187197D+00  0.314750D+01
                96            97            98            99           100 
      1  -0.240941D+01  0.995346D+00 -0.507556D+01 -0.190558D+02  0.123758D+02
      2   0.417051D+01 -0.127709D+01  0.655782D+01 -0.174591D+02 -0.642824D+01
      3  -0.176110D+01  0.281744D+00 -0.148226D+01  0.365149D+02 -0.594756D+01
      4   0.105281D+01  0.395205D+01  0.173011D+01  0.441632D+00  0.209562D+02
      5  -0.356702D+00  0.541622D+01  0.310716D+00  0.616758D+01 -0.205798D+01
      6   0.699894D+01  0.102667D+01  0.638441D+01  0.259155D+02 -0.506583D+01
               101           102           103           104           105 
      1  -0.217734D+02 -0.163604D+00 -0.124119D+02 -0.740243D+01  0.600487D+01
      2   0.381109D+02  0.187614D+01  0.241560D+02  0.166546D+02 -0.382983D+01
      3  -0.163375D+02 -0.171253D+01 -0.117441D+02 -0.925214D+01 -0.217504D+01
      4   0.140436D+02 -0.422023D+01  0.147130D+02  0.284034D+02 -0.414425D+00
      5  -0.460105D+00  0.842765D+01 -0.927630D+00 -0.293484D+01  0.265183D+01
      6  -0.547477D+00  0.616950D+01  0.649923D+00 -0.785407D+01  0.106258D+02
               106           107           108           109           110 
      1  -0.101573D+01  0.101996D+02 -0.795832D+01  0.303457D+01  0.207818D+01
      2  -0.244399D+00 -0.156087D+02  0.631637D+00 -0.434366D+01 -0.141077D+01
      3   0.126013D+01  0.540911D+01  0.732668D+01  0.130910D+01 -0.667401D+00
      4  -0.718193D+01 -0.432375D+01  0.547412D+01  0.721894D+01 -0.204573D+02
      5   0.666719D+01  0.321881D+01 -0.873715D+00  0.137328D+02  0.245537D+01
      6   0.629796D+01  0.136981D+02 -0.530541D+01  0.337074D+01  0.287591D+01
               111           112           113           114           115 
      1   0.571508D+01  0.155027D+02 -0.241633D+02  0.348848D+01  0.176944D+02
      2  -0.627679D+01 -0.118466D+02  0.491948D+01  0.434286D+01 -0.554714D+01
      3   0.561719D+00 -0.365608D+01  0.192438D+02 -0.783134D+01 -0.121473D+02
      4   0.395899D+01 -0.357714D+02 -0.209498D+02  0.784659D+01 -0.246434D+01
      5  -0.550637D+00 -0.990390D+00  0.884669D+01  0.187675D+01 -0.612506D+01
      6   0.585623D+01  0.795264D+00  0.126839D+01 -0.558975D+01 -0.755743D+00
               116           117           118           119           120 
      1   0.111408D+01  0.106568D+02  0.415532D+01  0.111255D+01 -0.312087D+01
      2   0.150994D+01  0.129560D+02 -0.542052D+01 -0.889960D+00  0.218114D+01
      3  -0.262402D+01 -0.236127D+02  0.126519D+01 -0.222586D+00  0.939731D+00
      4   0.117286D+02 -0.114541D+02  0.834290D+00  0.152684D+01  0.456596D+00
      5  -0.905730D+01 -0.471068D+02 -0.367717D+01  0.275115D+00  0.882466D+01
      6  -0.182971D+01 -0.366426D+01 -0.316261D+00 -0.512759D-01 -0.346939D+00
               121           122           123           124           125 
      1   0.123382D+01 -0.534382D+01 -0.883533D+00 -0.619346D+01  0.124934D+01
      2  -0.105993D+01  0.191546D+01  0.194417D+00  0.753598D+01  0.424572D-01
      3  -0.173889D+00  0.342836D+01  0.689116D+00 -0.134251D+01 -0.129180D+01
      4   0.205469D+01  0.436836D+00 -0.247318D+01 -0.676684D+00 -0.365285D+01
      5  -0.827175D+00 -0.361155D+01  0.131484D+01  0.889119D+01  0.101455D+01
      6  -0.632722D+00 -0.471231D+00  0.808203D+01  0.991153D+00  0.545140D+01
               126           127           128           129           130 
      1  -0.174064D+02  0.796165D+01 -0.391535D+01  0.106972D+01 -0.670585D+00
      2  -0.177407D+02  0.208699D+01  0.100817D+02 -0.237172D+00  0.758893D+01
      3   0.351471D+02 -0.100486D+02 -0.616636D+01 -0.832545D+00 -0.691835D+01
      4   0.386455D+00  0.828310D+01  0.187128D+02 -0.891670D+00  0.216222D+02
      5  -0.279678D+02 -0.172445D+01 -0.142898D+01  0.794246D+01 -0.179575D+01
      6  -0.356300D+01 -0.110020D+01 -0.214187D+01  0.481204D+01 -0.319648D+00
               131           132           133           134           135 
      1  -0.349902D+02 -0.240566D+00 -0.362930D+00 -0.700246D+01  0.487952D+01
      2   0.659724D+02  0.200917D+01  0.704543D+00  0.542994D+01 -0.215991D+01
      3  -0.309822D+02 -0.176861D+01 -0.341613D+00  0.157251D+01 -0.271960D+01
      4   0.246160D+02 -0.346895D+00  0.467439D+00  0.131506D+01  0.170100D+01
      5  -0.817540D-01  0.470322D+00  0.569703D+01 -0.167052D+00  0.950187D+01
      6  -0.107601D+01  0.916640D+01  0.275367D+01  0.168717D+01  0.324717D+02
               136           137           138           139           140 
      1   0.778640D+00 -0.953040D+00  0.126912D+01 -0.119682D+01 -0.578816D+01
      2  -0.377170D+01  0.101230D+01 -0.130588D+00  0.161201D+01  0.417688D+01
      3   0.299306D+01 -0.592646D-01 -0.113853D+01 -0.415186D+00  0.161127D+01
      4  -0.194219D+00  0.346041D+01  0.375791D+01  0.267295D+01  0.213691D+01
      5   0.181104D+01  0.984025D+00  0.809772D+01  0.209532D+00  0.138433D+01
      6   0.458857D+01  0.357287D+00  0.105526D+01  0.240814D+00  0.446785D+01
               141           142           143           144           145 
      1  -0.256195D+01  0.690916D+00 -0.771333D+01 -0.211386D+02  0.478784D+02
      2   0.398608D+01 -0.868188D+00  0.546653D+01 -0.134123D+02 -0.225604D+02
      3  -0.142413D+01  0.177273D+00  0.224680D+01  0.345509D+02 -0.253180D+02
      4   0.123354D+01  0.519991D+01  0.415407D+01  0.178385D+01 -0.350456D+02
      5  -0.730846D-01  0.627664D+01  0.267563D+01  0.134586D+02  0.238570D+01
      6   0.809746D+01  0.223052D+01  0.111484D+02  0.318085D+02 -0.396688D+01
               146           147           148           149           150 
      1  -0.278193D+01  0.491924D+01  0.226197D+01  0.219348D+01  0.775699D+00
      2  -0.446395D+01 -0.210764D+01 -0.292352D+01  0.198562D+00 -0.112113D+01
      3   0.724588D+01 -0.281160D+01  0.661544D+00 -0.239204D+01  0.345428D+00
      4   0.139845D+02 -0.224024D+01  0.327889D+01 -0.104212D+01  0.730455D+00
      5   0.278396D+00  0.713269D+01  0.534308D+00  0.957141D+00 -0.112208D+01
      6  -0.439266D+00 -0.572301D+01 -0.389748D+00 -0.392558D+00  0.156882D+00
               151           152           153           154           155 
      1   0.922862D+01 -0.166509D+00  0.386081D+01  0.144267D+02  0.937270D+01
      2  -0.495286D+01 -0.114229D+01 -0.228648D+01 -0.411502D+01 -0.104432D+01
      3  -0.427576D+01  0.130880D+01 -0.157433D+01 -0.103117D+02 -0.832837D+01
      4  -0.679090D+01  0.270054D+01 -0.314907D+01  0.143250D+02  0.174434D+02
      5   0.589082D+01 -0.939249D+00  0.164377D+01 -0.194533D+00 -0.770830D-01
      6  -0.350999D+01  0.148114D+01 -0.216714D+00  0.120307D+00  0.100098D+01
               156           157           158           159           160 
      1  -0.124739D+01  0.236786D+02  0.103307D+02  0.337663D+00 -0.324463D+01
      2   0.658623D-01 -0.763357D+01  0.668222D+01 -0.151770D+01  0.131018D+01
      3   0.118153D+01 -0.160451D+02 -0.170129D+02  0.118003D+01  0.193444D+01
      4  -0.540873D+00  0.268184D+02  0.391802D+02 -0.179219D+01 -0.342302D+01
      5   0.445095D+01  0.447784D+00 -0.219084D+01  0.722050D+01  0.398154D+01
      6   0.192711D+01  0.127110D+01  0.104364D+01  0.263404D+01  0.158710D+01
               161           162           163           164           165 
      1  -0.119337D+01  0.163650D+01 -0.609475D+01  0.174322D+02  0.368071D+00
      2  -0.749238D+00 -0.339535D+00  0.102143D+02 -0.278807D+02 -0.989747D+00
      3   0.194261D+01 -0.129697D+01 -0.411958D+01  0.104484D+02  0.621676D+00
      4  -0.495043D+01  0.362173D+01 -0.102241D+02  0.629620D+01  0.133004D+01
      5   0.366651D+01  0.184157D+00  0.399317D+00 -0.903889D+00 -0.121757D+01
      6   0.266426D+01 -0.716134D+00  0.160650D+01 -0.602060D+00 -0.343525D+01
               166           167           168           169           170 
      1   0.885884D+01 -0.278940D+02 -0.663140D+00  0.995838D+00 -0.386844D+01
      2  -0.132394D+02  0.470493D+02  0.207235D+01 -0.170772D+01  0.574513D+01
      3   0.438057D+01 -0.191553D+02 -0.140921D+01  0.711879D+00 -0.187670D+01
      4   0.988386D+01 -0.639269D+01 -0.563645D+00  0.166711D+01 -0.118635D+01
      5  -0.770579D+00  0.957388D+00  0.526974D+00  0.806688D+00  0.331033D-01
      6  -0.798127D+00  0.910243D+00  0.712557D+01 -0.186742D+01  0.523163D+01
               171           172           173           174           175 
      1  -0.271229D+01  0.677501D+02 -0.906375D+01 -0.743580D+01 -0.979915D+01
      2   0.360996D+01 -0.356465D+02 -0.296986D+01  0.696182D+01  0.752263D+00
      3  -0.897672D+00 -0.321036D+02  0.120336D+02  0.473971D+00  0.904689D+01
      4  -0.110831D+01 -0.259304D+02  0.332374D+02  0.533742D+00  0.346122D+02
      5  -0.852463D+00 -0.106800D+02 -0.206592D+00  0.157254D+02  0.109050D+01
      6   0.245345D+00  0.885193D+00 -0.554560D+00 -0.546912D+01 -0.390015D+00
               176           177           178           179           180 
      1   0.287938D+02 -0.517332D+01 -0.181682D+02  0.824153D+00  0.634787D+01
      2  -0.162066D+02  0.819104D+00  0.989423D+01  0.233952D+01 -0.122360D+02
      3  -0.125872D+02  0.435422D+01  0.827398D+01 -0.316367D+01  0.588817D+01
      4   0.482212D+01 -0.533442D+01  0.771622D+01 -0.114344D+02 -0.562339D+01
      5  -0.694422D+01 -0.959931D-01  0.208550D+02 -0.608530D+01 -0.664913D+01
      6   0.323630D+01  0.981893D+01 -0.391757D+01  0.666957D+01  0.410327D+01
               181           182           183           184           185 
      1  -0.167356D+01  0.162164D+01  0.859862D+01 -0.242648D+01  0.470188D+00
      2  -0.186940D+01 -0.446967D+00 -0.407978D+01  0.198740D+01 -0.153783D+01
      3   0.354296D+01 -0.117467D+01 -0.451883D+01  0.439081D+00  0.106764D+01
      4   0.117786D+01  0.374484D+01 -0.289469D+00  0.616530D+01  0.314256D+01
      5   0.676771D+01 -0.298723D+00  0.477272D+01 -0.100606D+00  0.544996D+01
      6  -0.103742D-01 -0.816424D+00 -0.526186D+00  0.465781D+00  0.873753D+00
               186           187           188           189           190 
      1  -0.134750D+01  0.122070D+02 -0.468816D+01 -0.155724D+02  0.198141D+02
      2   0.412853D+00 -0.951940D+01  0.376640D+00 -0.200368D+02 -0.692952D+01
      3   0.934642D+00 -0.268759D+01  0.431152D+01  0.356092D+02 -0.128846D+02
      4   0.559803D+01  0.103145D+00  0.931958D+01  0.924688D+01  0.182011D+02
      5  -0.657647D+00  0.139299D+02  0.713278D+01  0.538424D+02 -0.500389D+01
      6   0.641385D+01  0.915855D+00  0.659894D+01  0.478411D+01 -0.111956D+01
               191           192           193           194           195 
      1   0.129453D+02 -0.499762D+01  0.190159D+02  0.930084D+01 -0.714314D+00
      2  -0.365406D+01  0.180552D+01 -0.606405D+01  0.756275D+01 -0.151833D+01
      3  -0.929122D+01  0.319210D+01 -0.129519D+02 -0.168636D+02  0.223264D+01
      4   0.207879D+02 -0.233517D+01  0.248853D+02  0.420596D+02 -0.614088D+01
      5  -0.170289D+01  0.586482D+01 -0.171336D+01 -0.558611D+01  0.725420D+01
      6  -0.504414D+00  0.198744D+01 -0.435491D+00 -0.207259D+01  0.409499D+01
               196           197           198           199           200 
      1  -0.100390D+02 -0.159832D+01  0.204694D+01 -0.181911D+01  0.197927D+01
      2   0.448909D+01 -0.774523D+00 -0.244163D+01  0.917974D+00 -0.185185D+01
      3   0.554993D+01  0.237284D+01  0.394696D+00  0.901134D+00 -0.127417D+00
      4  -0.425858D+01 -0.111690D+02  0.758260D+01  0.206098D+00  0.192602D+01
      5   0.726230D+01  0.772994D+01 -0.172150D+01 -0.698598D-01 -0.439049D+00
      6   0.211844D+01  0.425230D+01 -0.249790D+01 -0.256286D+01  0.160559D+01
               201           202           203           204           205 
      1  -0.213422D+01  0.112377D+01 -0.507095D+01  0.279182D+01 -0.249600D+01
      2   0.100150D+01 -0.675355D+00  0.730018D+01 -0.476908D+01  0.246798D+00
      3   0.113272D+01 -0.448412D+00 -0.222923D+01  0.197726D+01  0.224921D+01
      4  -0.262067D+01  0.257684D+01  0.140213D+01 -0.105793D+01 -0.740820D+01
      5   0.377401D+00 -0.133239D+00 -0.103719D+01  0.165402D+01  0.201939D+01
      6  -0.439039D+01 -0.990756D-01 -0.483489D+01  0.657124D+01 -0.475341D-01
               206           207           208           209           210 
      1   0.137756D+02 -0.162245D+02 -0.110815D+02 -0.833037D+01  0.181147D+01
      2  -0.160829D+02  0.558059D+01  0.752113D+01  0.840431D+01 -0.891547D+00
      3   0.230732D+01  0.106439D+02  0.356038D+01 -0.739400D-01 -0.919927D+00
      4  -0.554787D+01  0.244731D+01  0.827332D+00 -0.105657D+02  0.112618D+00
      5   0.414968D+01 -0.109690D+02  0.131705D+01  0.109037D+01 -0.230132D+01
      6   0.176375D+02 -0.389379D+02 -0.627995D+00 -0.655857D+00  0.264007D+00
               211           212           213           214           215 
      1  -0.201904D+02 -0.165492D+02  0.218558D+01  0.332654D+01  0.261074D+01
      2   0.119658D+02  0.242136D+02 -0.264901D+01 -0.195443D+01 -0.286648D+01
      3   0.822464D+01 -0.766440D+01  0.463434D+00 -0.137211D+01  0.255745D+00
      4   0.358848D+01 -0.373125D+02  0.149638D+01 -0.213150D+00  0.492535D+01
      5   0.216606D+01  0.267820D+01 -0.902891D+01  0.111540D+01 -0.336180D+01
      6  -0.406808D-01 -0.123471D+01  0.335846D+01  0.423936D+00  0.340970D+01
               216 
      1  -0.140749D+01
      2   0.149229D+01
      3  -0.848006D-01
      4  -0.270288D+01
      5  -0.387817D+00
      6  -0.664506D+00
 Leave Link  716 at Wed Mar 16 19:35:35 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121395D+03  0.157672D+01  0.245995D+00
      2   0.157672D+01  0.116809D+03 -0.270481D+00
      3   0.245995D+00 -0.270481D+00  0.973811D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.108544D+01 -0.360678D+01 -0.361788D+01
      2  -0.302709D+01  0.106745D+01  0.708312D+01
      3   0.115286D+02 -0.125365D+02 -0.319440D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.306208D+02 -0.167545D+02 -0.959531D+01
      2  -0.256849D+02  0.187197D+02  0.570250D+01
      3  -0.493595D+01 -0.196520D+01  0.389281D+01
      4   0.103348D+01 -0.623217D+01 -0.917476D+00
      5  -0.555165D+01  0.392443D+00  0.129254D+02
      6  -0.548854D+01  0.541096D+01  0.546759D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.279375D+01 -0.273971D+01 -0.118350D+01 -0.325324D+01  0.323894D+01
      2  -0.273971D+01  0.398419D+01  0.256061D+00  0.323894D+01  0.902458D-01
      3  -0.118350D+01  0.256061D+00 -0.988688D+00  0.411279D+00 -0.113742D+01
                 6             7             8             9            10 
      1   0.411279D+00 -0.169512D+01  0.821794D+00  0.784951D-01  0.437395D+01
      2  -0.113742D+01  0.821794D+00 -0.199475D+01 -0.812727D+00  0.234017D+01
      3   0.711951D+00  0.784951D-01 -0.812727D+00  0.113599D+02  0.152489D+01
                11            12            13            14            15 
      1   0.234017D+01  0.152489D+01  0.229584D+01 -0.291018D+01 -0.253405D+00
      2  -0.193937D+01 -0.190325D-01 -0.291018D+01 -0.159080D+01  0.703779D+00
      3  -0.190325D-01 -0.190121D+01 -0.253405D+00  0.703779D+00  0.589737D+00
                16            17            18            19            20 
      1   0.304418D+01 -0.164709D+00  0.153362D+00  0.254650D+01  0.246842D+01
      2  -0.164709D+00  0.919060D+00  0.536129D+00  0.246842D+01 -0.336296D+01
      3   0.153362D+00  0.536129D+00 -0.114058D+02  0.102034D+01  0.197891D+00
                21            22            23            24            25 
      1   0.102034D+01  0.179787D+01 -0.421409D+01 -0.485894D-01  0.145655D+01
      2   0.197891D+00 -0.421409D+01 -0.242698D+01  0.132393D+01  0.551533D+00
      3   0.468425D+00 -0.485894D-01  0.132393D+01  0.152003D+01 -0.273112D+00
                26            27            28            29            30 
      1   0.551533D+00 -0.273112D+00 -0.227811D+01 -0.169965D+00 -0.106891D+01
      2   0.265767D+01  0.304374D+00 -0.169965D+00  0.373695D+01 -0.300853D+00
      3   0.304374D+00 -0.111597D+02 -0.106891D+01 -0.300853D+00 -0.441692D+00
                31            32            33            34            35 
      1   0.847584D+00  0.493422D+01  0.729160D+00 -0.178691D+01  0.168114D+00
      2   0.493422D+01  0.289104D+01 -0.116846D+01  0.168114D+00 -0.189643D+01
      3   0.729160D+00 -0.116846D+01 -0.979584D+00 -0.589749D+00  0.147575D+00
                36            37            38            39            40 
      1  -0.589749D+00  0.697050D+01 -0.254352D+00  0.775018D+00 -0.178565D+01
      2   0.147575D+00 -0.254352D+00 -0.223043D+00 -0.797709D+00 -0.840770D+00
      3   0.114166D+02  0.775018D+00 -0.797709D+00 -0.414489D+00 -0.477157D+00
                41            42            43            44            45 
      1  -0.840770D+00 -0.477157D+00  0.345818D+01  0.695725D+00  0.565394D+00
      2  -0.530697D+01  0.857799D+00  0.695725D+00  0.229308D+01 -0.794627D+00
      3   0.857799D+00  0.811563D+00  0.565394D+00 -0.794627D+00 -0.167347D+01
                46            47            48            49            50 
      1  -0.404338D+01 -0.346573D+01 -0.646301D+00 -0.151985D+01  0.244890D+01
      2  -0.346573D+01  0.122223D+01  0.110125D+01  0.244890D+01  0.174049D+01
      3  -0.646301D+00  0.110125D+01  0.576718D+00  0.569223D-01 -0.217584D+00
                51            52            53            54            55 
      1   0.569223D-01 -0.263596D+01  0.133094D+00  0.314000D+00  0.388673D+01
      2  -0.217584D+00  0.133094D+00 -0.182098D+01  0.596659D+00  0.249642D+01
      3  -0.254092D+01  0.314000D+00  0.596659D+00  0.109544D+02  0.176977D+01
                56            57            58            59            60 
      1   0.249642D+01  0.176977D+01  0.375279D+01 -0.337105D+01 -0.126880D+00
      2  -0.159569D+01 -0.129312D-01 -0.337105D+01  0.780546D+01  0.127918D+01
      3  -0.129312D-01  0.138865D+01 -0.126880D+00  0.127918D+01 -0.257071D+00
                61            62            63            64            65 
      1   0.349784D+01 -0.123373D+01 -0.854435D+00  0.533714D+00  0.388289D+00
      2  -0.123373D+01  0.264699D+01  0.176219D+01  0.388289D+00 -0.716709D+00
      3  -0.854435D+00  0.176219D+01  0.132886D+00 -0.109380D+01  0.563212D-01
                66            67            68            69            70 
      1  -0.109380D+01  0.586072D+00 -0.590836D+00  0.889048D-01 -0.224117D+01
      2   0.563212D-01 -0.590836D+00  0.400761D-01 -0.119068D+01  0.170060D+00
      3   0.179367D-01  0.889048D-01 -0.119068D+01  0.395913D+00 -0.494926D+00
                71            72            73            74            75 
      1   0.170060D+00 -0.494926D+00 -0.933757D+01 -0.215065D+00 -0.122871D+01
      2  -0.211296D+01  0.844144D+00 -0.215065D+00  0.896987D+00 -0.215049D+00
      3   0.844144D+00 -0.967281D+01 -0.122871D+01 -0.215049D+00  0.109393D+01
                76            77            78            79            80 
      1   0.337094D+01  0.973028D+00  0.140951D+00 -0.337623D+01 -0.736721D+00
      2   0.973028D+00  0.525322D+01 -0.122709D+01 -0.736721D+00 -0.170149D+01
      3   0.140951D+00 -0.122709D+01  0.119336D+01 -0.182543D+01 -0.179929D+00
                81            82            83            84            85 
      1  -0.182543D+01 -0.781848D+00 -0.390551D+00  0.118870D+01 -0.440608D+00
      2  -0.179929D+00 -0.390551D+00  0.468411D+00  0.380191D-01  0.485647D+00
      3  -0.122475D+00  0.118870D+01  0.380191D-01 -0.214608D-01  0.344899D-01
                86            87            88            89            90 
      1   0.485647D+00  0.344899D-01  0.212663D+01  0.212791D+00 -0.625460D+00
      2   0.179741D+00  0.121824D+01  0.212791D+00  0.205583D+01 -0.545896D+00
      3   0.121824D+01 -0.517133D+00 -0.625460D+00 -0.545896D+00  0.977781D+01
                91            92            93            94            95 
      1  -0.215741D+00 -0.508326D+00  0.111907D+01 -0.345346D+00  0.680284D+00
      2  -0.508326D+00  0.626604D+00  0.466107D-01  0.680284D+00  0.502699D+00
      3   0.111907D+01  0.466107D-01  0.700948D-01  0.919337D-01  0.119655D+01
                96            97            98            99           100 
      1   0.919337D-01  0.216240D+01 -0.867191D-01  0.351860D+00  0.476352D+01
      2   0.119655D+01 -0.867191D-01  0.218861D+01  0.510318D+00  0.727683D+00
      3   0.327061D-01  0.351860D+00  0.510318D+00  0.985191D+01 -0.116070D+01
               101           102           103           104           105 
      1   0.727683D+00 -0.116070D+01 -0.460689D+00  0.484484D+01  0.187352D+00
      2   0.659354D+01  0.365646D-01  0.484484D+01  0.318469D+01 -0.104643D+01
      3   0.365646D-01  0.447279D+00  0.187352D+00 -0.104643D+01 -0.142772D+01
               106           107           108           109           110 
      1  -0.148195D+01 -0.332497D+00  0.100668D+01  0.271171D+01  0.209588D+00
      2  -0.332497D+00 -0.305839D+01  0.143518D+01  0.209588D+00 -0.305723D+01
      3   0.100668D+01  0.143518D+01  0.256416D-01  0.195084D+01  0.468243D+00
               111           112           113           114           115 
      1   0.195084D+01  0.637047D+00 -0.528666D+01  0.894378D-01  0.282674D+01
      2   0.468243D+00 -0.528666D+01 -0.382902D+01  0.157081D+01 -0.161971D+00
      3   0.146395D+01  0.894378D-01  0.157081D+01 -0.880873D+00 -0.102148D+01
               116           117           118           119           120 
      1  -0.161971D+00 -0.102148D+01  0.120118D+01  0.284033D+00 -0.123346D+01
      2   0.193809D+01 -0.169136D+01  0.284033D+00 -0.413550D+00  0.672965D-01
      3  -0.169136D+01 -0.988595D+01 -0.123346D+01  0.672965D-01  0.802517D+00
               121           122           123           124           125 
      1   0.186466D+00 -0.496954D+00 -0.344420D+00 -0.255261D+01 -0.264882D+00
      2  -0.496954D+00 -0.112783D-01 -0.119892D+01 -0.264882D+00 -0.199408D+01
      3  -0.344420D+00 -0.119892D+01  0.197004D+00  0.132231D+01  0.286127D+00
               126           127           128           129           130 
      1   0.132231D+01 -0.141492D+01 -0.182680D+01  0.313543D+00 -0.195658D+01
      2   0.286127D+00 -0.182680D+01 -0.148380D+01  0.243325D+00 -0.175158D+01
      3  -0.972414D+01  0.313543D+00  0.243325D+00 -0.458259D+00 -0.104106D+00
               131           132           133           134           135 
      1  -0.175158D+01 -0.104106D+00 -0.205569D+00 -0.723632D-01 -0.411616D+00
      2  -0.980849D+01 -0.340749D+00 -0.723632D-01 -0.214518D+01  0.719940D+00
      3  -0.340749D+00  0.149756D+01 -0.411616D+00  0.719940D+00 -0.680373D+01
               136           137           138           139           140 
      1   0.169218D+00  0.146031D+00 -0.133408D+01  0.127964D+00 -0.519889D+00
      2   0.146031D+00 -0.335623D+00 -0.248012D+00 -0.519889D+00 -0.112812D+01
      3  -0.133408D+01 -0.248012D+00 -0.191415D+00 -0.157779D-01 -0.117462D+01
               141           142           143           144           145 
      1  -0.157779D-01 -0.219265D+01 -0.560509D+00 -0.587221D+00 -0.985878D+01
      2  -0.117462D+01 -0.560509D+00 -0.217019D+01 -0.182387D+01  0.174906D+01
      3  -0.420964D+00 -0.587221D+00 -0.182387D+01 -0.974237D+01 -0.676509D+00
               146           147           148           149           150 
      1   0.174906D+01 -0.676509D+00 -0.118647D+00 -0.602908D+00 -0.871728D-01
      2  -0.241683D+01 -0.130181D+00 -0.602908D+00  0.109461D+00 -0.217932D+00
      3  -0.130181D+00 -0.170747D+01 -0.871728D-01 -0.217932D+00  0.272627D+00
               151           152           153           154           155 
      1  -0.194994D+01  0.259111D+00 -0.872576D+00 -0.277231D+01 -0.207647D+01
      2   0.259111D+00 -0.601164D+00  0.247585D+00 -0.207647D+01 -0.262346D+01
      3  -0.872576D+00  0.247585D+00 -0.142951D+00  0.108710D+00  0.125748D-01
               156           157           158           159           160 
      1   0.108710D+00 -0.491282D+01 -0.337652D+01 -0.143719D+00  0.716367D+00
      2   0.125748D-01 -0.337652D+01 -0.666358D+01  0.349983D+00  0.394677D+00
      3  -0.936205D+00 -0.143719D+00  0.349983D+00 -0.133112D+01 -0.556750D+00
               161           162           163           164           165 
      1   0.394677D+00 -0.556750D+00 -0.249229D+01  0.154119D+01  0.323855D+00
      2   0.868478D+00 -0.512677D+00  0.154119D+01 -0.447619D+01 -0.472324D-01
      3  -0.512677D+00 -0.222400D-01  0.323855D+00 -0.472324D-01 -0.601522D+00
               166           167           168           169           170 
      1   0.228558D+01 -0.169643D+01 -0.176246D+00  0.486049D+00 -0.260167D+00
      2  -0.169643D+01  0.757700D+01  0.172672D+00 -0.260167D+00  0.926630D+00
      3  -0.176246D+00  0.172672D+00  0.150122D+01 -0.173431D+00  0.693515D+00
               171           172           173           174           175 
      1  -0.173431D+00  0.859450D+01 -0.259093D+01 -0.148720D+01 -0.968408D+00
      2   0.693515D+00 -0.259093D+01  0.399207D+01 -0.150224D+00  0.421030D+01
      3  -0.821137D-01 -0.148720D+01 -0.150224D+00  0.228170D+00 -0.282944D-01
               176           177           178           179           180 
      1   0.421030D+01 -0.282944D-01 -0.272270D+01  0.750996D+00  0.201422D+01
      2   0.223525D+01 -0.836969D+00  0.750996D+00 -0.175595D+01 -0.743031D+00
      3  -0.836969D+00  0.121161D+01  0.201422D+01 -0.743031D+00 -0.582960D+00
               181           182           183           184           185 
      1  -0.477394D+00  0.324122D+00  0.120590D+01 -0.336035D+00  0.833251D+00
      2   0.324122D+00  0.304512D+00 -0.162292D+00  0.833251D+00  0.533952D+00
      3   0.120590D+01 -0.162292D+00 -0.410599D+00 -0.427330D-01  0.110346D+01
               186           187           188           189           190 
      1  -0.427330D-01  0.260675D+01 -0.240989D+00  0.148180D+01  0.292672D+01
      2   0.110346D+01 -0.240989D+00  0.183089D+01  0.131651D+01  0.243212D+01
      3  -0.519526D-01  0.148180D+01  0.131651D+01  0.102693D+02 -0.864486D+00
               191           192           193           194           195 
      1   0.243212D+01 -0.864486D+00  0.372018D+01  0.317483D+01 -0.271816D+00
      2   0.261230D+01 -0.259574D+00  0.317483D+01  0.682806D+01 -0.101954D+01
      3  -0.259574D+00  0.701424D+00 -0.271816D+00 -0.101954D+01  0.115056D+01
               196           197           198           199           200 
      1  -0.185204D+01 -0.483361D+00  0.967798D+00 -0.263887D-01 -0.318522D+00
      2  -0.483361D+00 -0.189316D+01  0.119168D+01 -0.318522D+00  0.243075D+00
      3   0.967798D+00  0.119168D+01 -0.117394D+00  0.440513D+00 -0.273166D+00
               201           202           203           204           205 
      1   0.440513D+00 -0.483618D+00 -0.323260D-01  0.366597D-01  0.171504D+01
      2  -0.273166D+00 -0.323260D-01 -0.134081D+01  0.766427D+00  0.332140D+00
      3   0.841254D+00  0.366597D-01  0.766427D+00 -0.102138D+01 -0.447479D-01
               206           207           208           209           210 
      1   0.332140D+00 -0.447479D-01 -0.218574D+01 -0.550696D+00  0.236516D+00
      2   0.386751D+01 -0.292846D+01 -0.550696D+00 -0.203642D+01  0.920999D-01
      3  -0.292846D+01  0.728318D+01  0.236516D+00  0.920999D-01 -0.273398D-01
               211           212           213           214           215 
      1  -0.302683D+01 -0.134050D+00  0.253227D+00  0.596128D+00  0.108587D+00
      2  -0.134050D+00 -0.686533D+01  0.233551D+00  0.108587D+00  0.951890D+00
      3   0.253227D+00  0.233551D+00 -0.165711D+01  0.750164D-01 -0.559357D+00
               216 
      1   0.750164D-01
      2  -0.559357D+00
      3   0.663252D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124187D+01  0.268609D+00 -0.140099D+01 -0.174580D+01  0.631927D+00
      2   0.149764D+01 -0.454234D+00  0.428167D+00 -0.311477D+00  0.230191D+01
      3  -0.348606D+01 -0.182878D+01 -0.106913D+01  0.333338D+01  0.167061D+01
                 6             7             8             9            10 
      1   0.350522D-01 -0.244038D+00  0.407068D+01 -0.864936D+01  0.678589D+00
      2   0.937284D+00 -0.278045D+01  0.608497D+00 -0.101384D+02 -0.200500D+01
      3  -0.277492D+00  0.125749D+00 -0.170227D+01 -0.786333D+00  0.803678D+00
                11            12            13            14            15 
      1  -0.110679D+01  0.879673D-01  0.574157D+00 -0.153301D+01 -0.166044D+01
      2  -0.138684D+01  0.100669D+01  0.133276D+00 -0.247913D+01 -0.240164D+01
      3  -0.604364D+01 -0.781670D+00 -0.112830D+00 -0.332258D+00  0.203516D+01
                16            17            18            19            20 
      1  -0.715244D+00  0.238752D+01 -0.520577D+01 -0.928675D+00 -0.363635D+00
      2  -0.355325D+01 -0.138625D+01  0.132845D+02 -0.117553D+01  0.441051D+00
      3  -0.166958D+01  0.156980D+01  0.787583D+00  0.147863D+01  0.657923D+00
                21            22            23            24            25 
      1   0.121736D+01 -0.370008D+00 -0.193305D+01  0.131088D+00  0.148139D+01
      2   0.155705D+01 -0.107933D+01  0.403866D+00 -0.626421D+00 -0.320084D+01
      3   0.134899D+01  0.611216D+01 -0.466380D+01 -0.135914D+01  0.147244D+01
                26            27            28            29            30 
      1   0.279771D+01  0.105230D+02  0.916010D+00 -0.205083D+00  0.192480D+01
      2  -0.292929D+00 -0.235512D+01 -0.230573D+01 -0.458516D+00 -0.687074D-01
      3   0.420934D+00 -0.702769D+00 -0.607408D+01 -0.985907D+01 -0.726501D+00
                31            32            33            34            35 
      1  -0.109195D+01  0.144394D+01  0.224202D+01  0.194383D+01  0.303104D+01
      2  -0.913445D+00 -0.160751D+01 -0.249947D+01 -0.476603D+01  0.206116D+01
      3  -0.735641D+01 -0.295834D+01  0.228002D+01 -0.234630D+00  0.127641D+01
                36            37            38            39            40 
      1  -0.461370D+01  0.104733D+01  0.314118D+00 -0.348998D+01  0.933442D+00
      2   0.175801D+02  0.892731D+00  0.324733D+00  0.102552D+02  0.144932D+00
      3  -0.489093D+00 -0.938684D+01 -0.831775D+01 -0.811684D+00  0.130371D+02
                41            42            43            44            45 
      1   0.637321D+00 -0.733372D+01  0.266867D+01  0.522747D+01  0.231885D+00
      2   0.114091D+01  0.278101D+01 -0.631203D+01 -0.277951D+01  0.101556D+01
      3   0.574435D+01 -0.872224D+00 -0.390723D+01 -0.259345D+01 -0.271185D+00
                46            47            48            49            50 
      1  -0.534858D+00  0.863696D-02  0.227927D+01 -0.719873D+00 -0.110956D+01
      2   0.152211D+01  0.192162D+00 -0.612580D+01 -0.578506D+00  0.153931D+01
      3   0.339100D+01  0.651889D+01  0.109393D+01  0.326772D+01  0.204483D+01
                51            52            53            54            55 
      1  -0.223264D+00 -0.122309D+01  0.326589D+01  0.140043D+02 -0.343742D+01
      2   0.604749D-02 -0.393869D+01 -0.207685D+01 -0.108967D+02 -0.695462D+01
      3  -0.145485D+01  0.350153D+01 -0.165609D+01 -0.135646D+00  0.161460D+02
                56            57            58            59            60 
      1  -0.113802D+00  0.392936D+00  0.135981D+01 -0.215672D+01 -0.634199D+01
      2   0.174539D+01  0.188202D+01  0.686538D-01 -0.207711D+01 -0.271454D+01
      3  -0.194267D+01  0.291497D+01  0.904587D+01  0.972743D+01  0.124512D+01
                61            62            63            64            65 
      1   0.692048D+00  0.132351D+01 -0.244257D+01  0.855167D+00 -0.648899D-01
      2  -0.458001D+01 -0.196662D+01 -0.249264D+01  0.166351D+01 -0.228156D+00
      3   0.595537D+01  0.400571D+01  0.158538D+01  0.848571D+00 -0.143149D+01
                66            67            68            69            70 
      1  -0.568237D+00 -0.822743D-01  0.154687D+01 -0.968708D+00 -0.211430D-01
      2   0.944071D+00 -0.706966D-01  0.945734D+00  0.196652D+00 -0.435082D+01
      3  -0.917385D+00  0.110354D+01 -0.453153D+00 -0.116601D+01 -0.229003D+01
                71            72            73            74            75 
      1   0.409870D+01  0.886488D+01 -0.155037D+01 -0.474486D+00 -0.369369D+00
      2  -0.466930D+00  0.102531D+02  0.365528D+01  0.197034D+01  0.669370D+01
      3  -0.213088D+01  0.631460D+00  0.797318D+01 -0.417524D+01  0.249376D+00
                76            77            78            79            80 
      1  -0.250835D+01 -0.304047D+01 -0.139603D+01  0.315034D+00  0.476896D+01
      2   0.929988D+00  0.396029D+01 -0.236678D+01 -0.289423D+00 -0.296089D+00
      3   0.518913D+01  0.203224D+02 -0.257987D+01  0.140611D+01 -0.576710D+01
                81            82            83            84            85 
      1  -0.695674D+00  0.418943D+00  0.430815D+00  0.440400D+00  0.562003D+00
      2   0.291886D+01 -0.207476D+01 -0.425431D-02  0.461824D+00  0.306537D+00
      3   0.822255D+00 -0.767778D-01 -0.255969D+00 -0.353622D+00  0.182944D+01
                86            87            88            89            90 
      1   0.689305D+00 -0.170493D+01  0.535057D-01  0.449659D+01  0.371300D+01
      2  -0.187579D+01  0.331625D+00 -0.387670D+01  0.614083D+00 -0.140987D+02
      3   0.312431D+00  0.147966D+01 -0.647482D+00  0.316439D+01  0.166414D-01
                91            92            93            94            95 
      1  -0.176087D+01  0.102043D+00  0.205709D+00 -0.153332D+00 -0.152508D+01
      2   0.442581D+00  0.665513D+00  0.770218D+00  0.608063D+00  0.301908D+00
      3   0.283628D-01 -0.176304D+01  0.132953D+01  0.570617D+00  0.435529D+00
                96            97            98            99           100 
      1  -0.564826D+00 -0.486339D+00  0.405424D+01 -0.112721D+02  0.273301D+01
      2  -0.347688D+00 -0.519720D+01  0.194199D+00  0.228584D+01  0.132629D+00
      3  -0.225496D+00  0.276999D+01 -0.989773D+00  0.140438D+00  0.152127D+02
               101           102           103           104           105 
      1  -0.119552D+01 -0.393782D+01 -0.822867D+00  0.487161D+01 -0.465382D+01
      2  -0.155572D+01  0.395736D+01  0.635950D+00  0.451084D+00  0.175947D+01
      3  -0.114482D+02 -0.211113D+01 -0.544762D+00  0.951669D+01  0.147477D+01
               106           107           108           109           110 
      1  -0.265639D+01  0.218960D+01  0.255821D+01 -0.198271D+01 -0.144244D+01
      2  -0.301671D+01  0.126558D+01 -0.609785D+00  0.420996D+01  0.151307D+01
      3  -0.492202D+01  0.154747D+01  0.116840D+01  0.402516D+01  0.738689D+01
               111           112           113           114           115 
      1  -0.277952D+01 -0.290338D+01 -0.399685D+01  0.963212D+00  0.183553D+00
      2   0.210225D+01  0.221279D+01  0.575919D+01  0.204537D+00 -0.714740D+01
      3  -0.677617D+00  0.168695D+02  0.666958D+01 -0.417829D+01  0.713563D+00
               116           117           118           119           120 
      1   0.232064D+01  0.583968D+01  0.345295D+00  0.460207D+00  0.337433D+00
      2  -0.431827D+01 -0.239799D+02 -0.136757D+01  0.257723D+00  0.209878D+01
      3  -0.560590D+01  0.430250D+01 -0.100507D+00  0.280396D+00 -0.490419D+00
               121           122           123           124           125 
      1   0.178025D+00  0.988329D-01 -0.768592D+00 -0.129576D+00  0.447221D+01
      2  -0.507539D+00 -0.188731D+01  0.292420D+00 -0.382167D+01  0.797558D-01
      3   0.276908D+01 -0.786471D+00  0.176727D+01 -0.301817D+00  0.342767D+01
               126           127           128           129           130 
      1   0.289897D+01  0.266731D+00  0.139988D+00 -0.234774D+01  0.243865D+00
      2  -0.134052D+02  0.381659D-01 -0.180632D+01  0.565665D+01  0.536135D+00
      3  -0.115658D+01  0.289814D+01 -0.257979D+01  0.740479D+00  0.108496D+02
               131           132           133           134           135 
      1   0.278086D+00 -0.543025D+01 -0.190717D+00  0.627050D+01 -0.189294D+02
      2   0.193856D-01 -0.259828D-02 -0.369710D+00 -0.663247D+00  0.581192D+01
      3  -0.522473D+01 -0.131808D-01  0.501554D+00 -0.581683D+00  0.207863D+01
               136           137           138           139           140 
      1  -0.228309D+01 -0.218341D+00 -0.506123D+00  0.312251D+00 -0.130363D+01
      2   0.916894D+00  0.184835D+00  0.988116D+00  0.682614D+00  0.783339D+00
      3   0.663662D-01 -0.194919D+01  0.224051D+01  0.268679D+00  0.314227D+00
               141           142           143           144           145 
      1  -0.104540D+01 -0.287478D+00  0.276809D+01 -0.133827D+02  0.199397D+01
      2   0.587085D-01 -0.449956D+01  0.106394D+01  0.812926D+01  0.552087D+01
      3  -0.606505D+00  0.371042D+01 -0.599947D+00  0.635909D+00 -0.199692D+02
               146           147           148           149           150 
      1   0.420096D-01  0.307899D+01  0.251344D+00  0.556930D+00 -0.131105D+00
      2  -0.353181D+00  0.514264D+01  0.348531D+00  0.472729D+00 -0.250813D+00
      3  -0.408604D+01 -0.219834D+01 -0.223073D+01 -0.272258D+01 -0.840513D+00
               151           152           153           154           155 
      1   0.171448D+01  0.321469D+00  0.332666D+00  0.899553D+00  0.108348D+01
      2   0.216154D+01 -0.582928D+00  0.832489D+00 -0.846744D+00 -0.721090D+00
      3  -0.444635D+01 -0.145108D+01 -0.135478D+01 -0.463567D+01 -0.628011D+01
               156           157           158           159           160 
      1  -0.120285D+01  0.160329D+01  0.296996D+01 -0.238766D+01 -0.826777D+00
      2   0.248085D+01 -0.104261D+01 -0.255712D+01  0.432462D+01  0.683579D+00
      3  -0.108715D+00 -0.441411D+01 -0.215927D+02  0.146521D+01  0.795604D-01
               161           162           163           164           165 
      1  -0.870539D-01  0.310144D+00 -0.169903D+01  0.158165D+01  0.256681D+01
      2   0.174131D+01 -0.246297D-01 -0.306313D+00  0.672140D+00 -0.190603D+00
      3   0.311874D+01 -0.106200D+01 -0.121649D+02  0.839668D+01  0.137602D+01
               166           167           168           169           170 
      1   0.138905D+01 -0.231705D+01 -0.451365D+01  0.789840D+00 -0.130321D+01
      2   0.455304D+00 -0.952784D+00 -0.846466D-01 -0.903219D+00  0.835335D-01
      3   0.995382D+01 -0.117863D+02 -0.767681D+00  0.240062D+01 -0.149633D+01
               171           172           173           174           175 
      1  -0.125145D+00 -0.490653D+00 -0.693400D+00  0.387059D+01  0.307800D+00
      2  -0.239749D+00 -0.478173D+01  0.979673D+00  0.778055D+01 -0.141342D+01
      3  -0.985501D+00  0.135998D+01 -0.210627D+02  0.114841D+00 -0.117825D+02
               176           177           178           179           180 
      1  -0.251674D+01 -0.409717D+01 -0.830280D-01  0.479093D+01 -0.217662D+01
      2  -0.287384D+01 -0.177551D+00  0.226645D+01 -0.226393D+01 -0.332428D+01
      3  -0.104562D+02  0.307874D+01  0.401662D+00  0.671746D+01  0.195993D+01
               181           182           183           184           185 
      1  -0.302254D+00  0.986131D-02  0.226842D-02  0.432645D+00 -0.175324D+00
      2   0.424436D+01 -0.895630D+00 -0.479442D+00 -0.259411D+00  0.281375D+01
      3  -0.139902D+01 -0.136454D+01  0.886196D+00 -0.110576D+01 -0.978306D+00
               186           187           188           189           190 
      1  -0.170744D+00 -0.108992D+01  0.392850D+01 -0.448781D+01  0.163671D+01
      2  -0.133820D+00 -0.158176D+01  0.401965D+01  0.268015D+02 -0.281299D+01
      3  -0.273600D+01  0.188981D+01 -0.501685D+01 -0.327832D+01 -0.462538D+01
               191           192           193           194           195 
      1   0.946847D+00 -0.145099D+01  0.130778D+01  0.272144D+01 -0.303183D+01
      2  -0.126970D+01  0.325060D+01 -0.134923D+01 -0.396347D+01  0.406864D+01
      3  -0.711729D+01  0.299563D+00 -0.396717D+01 -0.191731D+02  0.290650D+01
               196           197           198           199           200 
      1  -0.940695D+00 -0.200248D+00  0.539148D+00  0.141664D+01 -0.401661D+00
      2   0.191242D+01  0.350205D+01 -0.815536D+00 -0.104767D+01 -0.110909D+00
      3  -0.255443D+00  0.551912D+01 -0.286533D+01 -0.648669D+00  0.517021D+00
               201           202           203           204           205 
      1   0.243255D+01  0.415258D-01  0.266068D+01 -0.267213D+01 -0.148682D+00
      2  -0.914959D+00 -0.570220D+00 -0.107488D+01  0.106563D+01 -0.256111D+01
      3  -0.151611D+01  0.113165D+01 -0.115400D+01  0.694500D+00 -0.453549D+01
               206           207           208           209           210 
      1  -0.611348D+01  0.217924D+02  0.520122D+00  0.891773D+00 -0.783460D+00
      2   0.274072D+01 -0.663730D+01  0.106588D+01  0.162702D+00 -0.986888D+00
      3   0.246179D+01 -0.279794D+01  0.754946D+01  0.934387D+01 -0.696877D+00
               211           212           213           214           215 
      1   0.776900D+00  0.263582D+01 -0.296540D+01 -0.132462D-01 -0.476462D+00
      2   0.103311D+01  0.455555D+00 -0.442068D+01 -0.976845D+00 -0.166792D+01
      3   0.688239D+01  0.263108D+02 -0.122529D+01 -0.171830D+01 -0.363813D+01
               216 
      1   0.237412D+00
      2  -0.194856D-01
      3   0.175634D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.612101D+01 -0.261486D+01  0.125546D+00  0.698740D+01 -0.424857D+00
      2  -0.631920D+01  0.125485D+02 -0.208290D+01  0.162991D+01 -0.734056D+01
      3   0.198195D+00 -0.993364D+01  0.195736D+01 -0.861730D+01  0.776542D+01
      4   0.810668D+01 -0.158113D+02 -0.142724D+01 -0.189204D+02  0.113293D+02
      5   0.429886D+01 -0.193289D+01 -0.362173D+01 -0.435200D+01  0.130534D+01
      6  -0.104708D+01  0.343466D+01  0.435846D+01  0.330018D+01 -0.416368D+01
                 6             7             8             9            10 
      1   0.110472D+01  0.432071D+01  0.710000D+00  0.105351D+02 -0.249486D+02
      2   0.522085D+00  0.811856D+00 -0.709093D+01  0.810652D+01  0.127949D+02
      3  -0.162681D+01 -0.513257D+01  0.638093D+01 -0.186416D+02  0.121537D+02
      4   0.228143D+01 -0.487172D+01  0.790491D+01  0.189317D+01 -0.834020D+01
      5   0.368683D+01 -0.829775D-01  0.250130D+01 -0.243166D+02 -0.773225D+01
      6  -0.636432D+01  0.140613D+01 -0.180867D+01  0.221116D+02 -0.977086D+00
                11            12            13            14            15 
      1  -0.812191D+01 -0.110313D+01 -0.122342D+02  0.829720D+01  0.163293D+01
      2   0.378887D+01  0.484438D+01  0.765981D+01 -0.302134D+01 -0.656802D+00
      3   0.433303D+01 -0.374125D+01  0.457441D+01 -0.527586D+01 -0.976124D+00
      4  -0.452099D+01 -0.465204D+00  0.711768D+01  0.215887D+01 -0.115625D+01
      5  -0.125325D+01 -0.420820D+01 -0.102064D+00 -0.122238D+00 -0.564453D+01
      6  -0.266382D+01 -0.641202D+00 -0.102712D+01 -0.926319D+00 -0.285180D+00
                16            17            18            19            20 
      1  -0.141173D+02 -0.179641D+01  0.108055D+02 -0.937638D+01  0.927739D+01
      2   0.707255D+01 -0.982317D+00  0.834296D+01  0.726199D+01 -0.149218D+02
      3   0.704474D+01  0.277873D+01 -0.191484D+02  0.211439D+01  0.564442D+01
      4  -0.143866D+01 -0.201364D+01 -0.158256D+01  0.202929D+01 -0.353219D+01
      5  -0.971777D+00 -0.220551D+01  0.335792D+02  0.213373D+01  0.152778D+01
      6   0.487667D-01 -0.642647D+00  0.125001D+02  0.798045D+00  0.173345D+01
                21            22            23            24            25 
      1  -0.801056D+00  0.540052D+01  0.606165D+01 -0.414702D+01 -0.107332D+01
      2  -0.142971D+01 -0.114691D+02 -0.140573D+02  0.170617D+00  0.419056D+01
      3   0.223077D+01  0.606862D+01  0.799563D+01  0.397640D+01 -0.311725D+01
      4   0.120929D+01 -0.817600D+01 -0.126381D+02 -0.652079D+00  0.407264D+01
      5  -0.206538D+01  0.226434D+01  0.121952D+01 -0.164794D+01  0.127597D+00
      6  -0.285241D+01 -0.402267D+00  0.526565D+01 -0.606791D+01 -0.136130D+01
                26            27            28            29            30 
      1  -0.371996D+01  0.926633D+01 -0.116951D+02 -0.822722D+00 -0.470129D+01
      2   0.954940D+01  0.116228D+02  0.440632D+01 -0.325752D+00  0.175465D+01
      3  -0.582944D+01 -0.208891D+02  0.728880D+01  0.114847D+01  0.294664D+01
      4   0.375961D+01 -0.541302D+00 -0.818267D+01 -0.866823D+00 -0.215750D+01
      5  -0.208700D+00 -0.608250D+01 -0.539917D+01 -0.109825D+01 -0.559849D+01
      6   0.785653D+00 -0.266560D+02 -0.273981D+01  0.633090D-01 -0.389556D+01
                31            32            33            34            35 
      1  -0.175525D+00  0.192604D+02 -0.306133D+00 -0.428590D+01 -0.222277D+00
      2   0.116609D+01 -0.194042D+02 -0.320701D+01 -0.127741D+01 -0.221879D+01
      3  -0.990567D+00  0.143770D+00  0.351315D+01  0.556331D+01  0.244107D+01
      4  -0.609111D+01  0.652669D+00 -0.256974D+01  0.178779D+01 -0.150760D+01
      5   0.247532D+01 -0.179762D+01 -0.727129D+01 -0.364184D+01  0.627689D+00
      6  -0.226210D+00  0.127906D+01 -0.800642D+01 -0.197508D+01 -0.793765D+00
                36            37            38            39            40 
      1   0.938726D+01  0.206223D+02 -0.389982D+01 -0.101556D+01 -0.414417D+00
      2   0.101372D+02 -0.141995D+02  0.391531D+01 -0.126002D+01 -0.183573D+00
      3  -0.195244D+02 -0.642276D+01 -0.154903D-01  0.227558D+01  0.597990D+00
      4   0.109368D+01 -0.763601D+01  0.149777D+02 -0.167438D+01  0.154644D+02
      5   0.346146D+02  0.218168D+01 -0.267886D+00  0.189266D+02 -0.200711D+01
      6   0.597087D+01 -0.555992D+00  0.267280D+01  0.830627D+01  0.159249D+00
                41            42            43            44            45 
      1  -0.155576D+02  0.309236D+01  0.630783D+01  0.408056D+01 -0.671652D+01
      2   0.217536D+02 -0.152073D+00 -0.596907D+01 -0.433001D+01 -0.539226D+01
      3  -0.619602D+01 -0.294029D+01 -0.338759D+00  0.249455D+00  0.121088D+02
      4  -0.126058D+01  0.130384D+01 -0.481951D+01  0.198223D+01 -0.255541D+01
      5   0.416950D+00  0.736704D+01  0.762768D+01 -0.226576D+00  0.107703D+01
      6  -0.354350D+01  0.130902D+02 -0.516886D+00  0.756411D+01  0.543654D+00
                46            47            48            49            50 
      1  -0.200358D+02  0.966935D+01  0.601571D+01 -0.262155D+01  0.958906D+01
      2   0.186519D+02 -0.117416D+02 -0.148645D+01 -0.293734D+01 -0.240082D+02
      3   0.138391D+01  0.207228D+01 -0.452926D+01  0.555889D+01  0.144192D+02
      4   0.451082D+01 -0.961596D+01  0.550546D+00 -0.144923D+02 -0.127070D+02
      5   0.246423D+00  0.729280D-01 -0.142968D+02  0.170498D+01  0.849886D+00
      6  -0.382327D+00 -0.342671D+01 -0.688028D+01  0.898718D+00  0.128009D+01
                51            52            53            54            55 
      1  -0.177545D+00  0.261852D+01 -0.128165D+01  0.119024D+02 -0.236555D+02
      2  -0.246675D+00  0.517130D+00  0.103075D+02  0.112591D+02  0.181529D+02
      3   0.424221D+00 -0.313565D+01 -0.902586D+01 -0.231615D+02  0.550261D+01
      4   0.184248D+01  0.449158D+01  0.137559D-01 -0.478159D+00  0.508837D+01
      5  -0.539234D+00 -0.392944D+01 -0.230202D+01 -0.183177D+02 -0.866375D+01
      6  -0.647854D+01 -0.163278D+01 -0.379462D+01 -0.339136D+02  0.789636D+01
                56            57            58            59            60 
      1  -0.135205D+01 -0.599609D+01 -0.750658D+01 -0.112595D+02 -0.459969D+01
      2  -0.530658D+01  0.550055D+01 -0.407089D+01  0.306528D+02  0.268917D+01
      3   0.665863D+01  0.495543D+00  0.115775D+02 -0.193934D+02  0.191052D+01
      4   0.204635D+02  0.565211D+01  0.299680D+02 -0.363892D+02 -0.503474D+01
      5   0.179017D+01  0.667966D+01  0.235869D+01 -0.524145D+01 -0.488136D+01
      6  -0.243709D+01 -0.111610D+01 -0.242490D+01  0.769083D+01  0.127813D+02
                61            62            63            64            65 
      1  -0.120225D+02 -0.262935D+01 -0.721153D+01 -0.411412D+00 -0.383450D+00
      2   0.480142D+01  0.793977D+01 -0.525566D+00 -0.259278D+01 -0.735775D+00
      3   0.722103D+01 -0.531042D+01  0.773709D+01  0.300419D+01  0.111922D+01
      4   0.148407D+02 -0.128161D+02 -0.737261D+01 -0.574108D+00  0.401965D+01
      5   0.886229D+01 -0.794658D+01 -0.556622D+01  0.297207D+01 -0.506987D+00
      6  -0.431249D+01  0.136344D+02  0.490762D+01 -0.246095D+01 -0.518589D+00
                66            67            68            69            70 
      1   0.299845D+01 -0.390861D+00 -0.295154D+01  0.223820D+01  0.404211D+01
      2  -0.163932D+01 -0.683909D+00  0.800332D+00 -0.286867D+01 -0.265909D+01
      3  -0.135914D+01  0.107477D+01  0.215120D+01  0.630473D+00 -0.138302D+01
      4  -0.255686D+01  0.392694D+01 -0.129099D+01  0.297905D+01 -0.463486D+01
      5   0.722339D+01  0.139257D+00  0.268211D+01 -0.263066D+00  0.598066D+01
      6   0.797430D+00  0.233044D+00 -0.339261D+01  0.776816D+01 -0.135528D+01
                71            72            73            74            75 
      1   0.334222D+01 -0.177051D+02  0.632461D+02  0.465276D+00  0.429913D+01
      2  -0.330024D+01 -0.162493D+02 -0.393040D+02 -0.200275D+01 -0.615639D+01
      3  -0.419767D-01  0.339544D+02 -0.239421D+02  0.153748D+01  0.185726D+01
      4   0.505156D+01 -0.161457D+01  0.509919D+01  0.465479D+01  0.199793D+01
      5  -0.196038D+01  0.230857D+02  0.103690D+02  0.175605D+01  0.132328D+02
      6   0.653072D+01 -0.217935D+02  0.136578D+01  0.138120D+01  0.535260D+00
                76            77            78            79            80 
      1  -0.145984D+02 -0.577396D+01 -0.189040D+01  0.176217D+02  0.212960D+01
      2   0.509223D+01 -0.983122D+00  0.189531D+01 -0.109820D+02  0.964658D+00
      3   0.950617D+01  0.675708D+01 -0.490563D-02 -0.663971D+01 -0.309426D+01
      4  -0.786538D+01 -0.300401D+02  0.535120D+01  0.641506D+01  0.965957D+01
      5   0.375408D+00  0.636011D+01 -0.337148D+01  0.178365D+02  0.950446D+00
      6  -0.144851D+00  0.109217D+01  0.469534D+01  0.255371D+01  0.493999D+01
                81            82            83            84            85 
      1   0.433280D+01  0.275749D+01  0.155025D+01 -0.520059D+01  0.152547D+01
      2  -0.113634D+02 -0.453635D+01 -0.115744D+01  0.284695D+01 -0.971855D+00
      3   0.703056D+01  0.177885D+01 -0.392809D+00  0.235364D+01 -0.553611D+00
      4   0.130632D+01  0.133295D+01  0.105885D+01 -0.865384D+00  0.105803D+01
      5   0.611182D+01 -0.408484D+01 -0.195492D+00  0.653343D+01  0.988361D-01
      6   0.179805D+01 -0.885896D+00  0.338133D+00 -0.528153D+00 -0.624413D+00
                86            87            88            89            90 
      1  -0.496047D+01  0.164254D+01 -0.719461D+01  0.110018D+01 -0.174695D+02
      2   0.942159D+00 -0.110887D+01  0.522048D+01 -0.902502D+00 -0.170166D+02
      3   0.401831D+01 -0.533671D+00  0.197414D+01 -0.197677D+00  0.344861D+02
      4  -0.102351D+00 -0.393343D+01 -0.253211D+01 -0.564299D+01  0.120366D+01
      5  -0.429931D+01  0.930017D+00  0.690165D+01  0.202604D+01 -0.322096D+02
      6  -0.186379D+01  0.869367D+01  0.474885D+00  0.590877D+01 -0.950185D+01
                91            92            93            94            95 
      1   0.172904D+01 -0.138914D+01  0.105505D+01 -0.200325D+01 -0.403999D+01
      2  -0.490137D+01  0.189107D+01 -0.234440D+00  0.225104D+01  0.150998D+01
      3   0.317233D+01 -0.501928D+00 -0.820612D+00 -0.247791D+00  0.253001D+01
      4  -0.493261D+00  0.184065D+01  0.245466D+01  0.230380D+01  0.136155D+01
      5   0.918595D+00  0.271381D+00  0.702892D+01 -0.145125D+00  0.739489D+00
      6   0.318761D+01 -0.103892D+00 -0.264403D+00  0.187197D+00  0.314750D+01
                96            97            98            99           100 
      1  -0.240941D+01  0.995346D+00 -0.507556D+01 -0.190558D+02  0.123758D+02
      2   0.417051D+01 -0.127709D+01  0.655782D+01 -0.174591D+02 -0.642824D+01
      3  -0.176110D+01  0.281744D+00 -0.148226D+01  0.365149D+02 -0.594756D+01
      4   0.105281D+01  0.395205D+01  0.173011D+01  0.441632D+00  0.209562D+02
      5  -0.356702D+00  0.541622D+01  0.310716D+00  0.616758D+01 -0.205798D+01
      6   0.699894D+01  0.102667D+01  0.638441D+01  0.259155D+02 -0.506583D+01
               101           102           103           104           105 
      1  -0.217734D+02 -0.163604D+00 -0.124119D+02 -0.740243D+01  0.600487D+01
      2   0.381109D+02  0.187614D+01  0.241560D+02  0.166546D+02 -0.382983D+01
      3  -0.163375D+02 -0.171253D+01 -0.117441D+02 -0.925214D+01 -0.217504D+01
      4   0.140436D+02 -0.422023D+01  0.147130D+02  0.284034D+02 -0.414425D+00
      5  -0.460105D+00  0.842765D+01 -0.927630D+00 -0.293484D+01  0.265183D+01
      6  -0.547477D+00  0.616950D+01  0.649923D+00 -0.785407D+01  0.106258D+02
               106           107           108           109           110 
      1  -0.101573D+01  0.101996D+02 -0.795832D+01  0.303457D+01  0.207818D+01
      2  -0.244399D+00 -0.156087D+02  0.631637D+00 -0.434366D+01 -0.141077D+01
      3   0.126013D+01  0.540911D+01  0.732668D+01  0.130910D+01 -0.667401D+00
      4  -0.718193D+01 -0.432375D+01  0.547412D+01  0.721894D+01 -0.204573D+02
      5   0.666719D+01  0.321881D+01 -0.873715D+00  0.137328D+02  0.245537D+01
      6   0.629796D+01  0.136981D+02 -0.530541D+01  0.337074D+01  0.287591D+01
               111           112           113           114           115 
      1   0.571508D+01  0.155027D+02 -0.241633D+02  0.348848D+01  0.176944D+02
      2  -0.627679D+01 -0.118466D+02  0.491948D+01  0.434286D+01 -0.554714D+01
      3   0.561719D+00 -0.365608D+01  0.192438D+02 -0.783134D+01 -0.121473D+02
      4   0.395899D+01 -0.357714D+02 -0.209498D+02  0.784659D+01 -0.246434D+01
      5  -0.550637D+00 -0.990390D+00  0.884669D+01  0.187675D+01 -0.612506D+01
      6   0.585623D+01  0.795264D+00  0.126839D+01 -0.558975D+01 -0.755743D+00
               116           117           118           119           120 
      1   0.111408D+01  0.106568D+02  0.415532D+01  0.111255D+01 -0.312087D+01
      2   0.150994D+01  0.129560D+02 -0.542052D+01 -0.889960D+00  0.218114D+01
      3  -0.262402D+01 -0.236127D+02  0.126519D+01 -0.222586D+00  0.939731D+00
      4   0.117286D+02 -0.114541D+02  0.834290D+00  0.152684D+01  0.456596D+00
      5  -0.905730D+01 -0.471068D+02 -0.367717D+01  0.275115D+00  0.882466D+01
      6  -0.182971D+01 -0.366426D+01 -0.316261D+00 -0.512759D-01 -0.346939D+00
               121           122           123           124           125 
      1   0.123382D+01 -0.534382D+01 -0.883533D+00 -0.619346D+01  0.124934D+01
      2  -0.105993D+01  0.191546D+01  0.194417D+00  0.753598D+01  0.424572D-01
      3  -0.173889D+00  0.342836D+01  0.689116D+00 -0.134251D+01 -0.129180D+01
      4   0.205469D+01  0.436836D+00 -0.247318D+01 -0.676684D+00 -0.365285D+01
      5  -0.827175D+00 -0.361155D+01  0.131484D+01  0.889119D+01  0.101455D+01
      6  -0.632722D+00 -0.471231D+00  0.808203D+01  0.991153D+00  0.545140D+01
               126           127           128           129           130 
      1  -0.174064D+02  0.796165D+01 -0.391535D+01  0.106972D+01 -0.670585D+00
      2  -0.177407D+02  0.208699D+01  0.100817D+02 -0.237172D+00  0.758893D+01
      3   0.351471D+02 -0.100486D+02 -0.616636D+01 -0.832545D+00 -0.691835D+01
      4   0.386455D+00  0.828310D+01  0.187128D+02 -0.891670D+00  0.216222D+02
      5  -0.279678D+02 -0.172445D+01 -0.142898D+01  0.794246D+01 -0.179575D+01
      6  -0.356300D+01 -0.110020D+01 -0.214187D+01  0.481204D+01 -0.319648D+00
               131           132           133           134           135 
      1  -0.349902D+02 -0.240566D+00 -0.362930D+00 -0.700246D+01  0.487952D+01
      2   0.659724D+02  0.200917D+01  0.704543D+00  0.542994D+01 -0.215991D+01
      3  -0.309822D+02 -0.176861D+01 -0.341613D+00  0.157251D+01 -0.271960D+01
      4   0.246160D+02 -0.346895D+00  0.467439D+00  0.131506D+01  0.170100D+01
      5  -0.817540D-01  0.470322D+00  0.569703D+01 -0.167052D+00  0.950187D+01
      6  -0.107601D+01  0.916640D+01  0.275367D+01  0.168717D+01  0.324717D+02
               136           137           138           139           140 
      1   0.778640D+00 -0.953040D+00  0.126912D+01 -0.119682D+01 -0.578816D+01
      2  -0.377170D+01  0.101230D+01 -0.130588D+00  0.161201D+01  0.417688D+01
      3   0.299306D+01 -0.592646D-01 -0.113853D+01 -0.415186D+00  0.161127D+01
      4  -0.194219D+00  0.346041D+01  0.375791D+01  0.267295D+01  0.213691D+01
      5   0.181104D+01  0.984025D+00  0.809772D+01  0.209532D+00  0.138433D+01
      6   0.458857D+01  0.357287D+00  0.105526D+01  0.240814D+00  0.446785D+01
               141           142           143           144           145 
      1  -0.256195D+01  0.690916D+00 -0.771333D+01 -0.211386D+02  0.478784D+02
      2   0.398608D+01 -0.868188D+00  0.546653D+01 -0.134123D+02 -0.225604D+02
      3  -0.142413D+01  0.177273D+00  0.224680D+01  0.345509D+02 -0.253180D+02
      4   0.123354D+01  0.519991D+01  0.415407D+01  0.178385D+01 -0.350456D+02
      5  -0.730846D-01  0.627664D+01  0.267563D+01  0.134586D+02  0.238570D+01
      6   0.809746D+01  0.223052D+01  0.111484D+02  0.318085D+02 -0.396688D+01
               146           147           148           149           150 
      1  -0.278193D+01  0.491924D+01  0.226197D+01  0.219348D+01  0.775699D+00
      2  -0.446395D+01 -0.210764D+01 -0.292352D+01  0.198562D+00 -0.112113D+01
      3   0.724588D+01 -0.281160D+01  0.661544D+00 -0.239204D+01  0.345428D+00
      4   0.139845D+02 -0.224024D+01  0.327889D+01 -0.104212D+01  0.730455D+00
      5   0.278396D+00  0.713269D+01  0.534308D+00  0.957141D+00 -0.112208D+01
      6  -0.439266D+00 -0.572301D+01 -0.389748D+00 -0.392558D+00  0.156882D+00
               151           152           153           154           155 
      1   0.922862D+01 -0.166509D+00  0.386081D+01  0.144267D+02  0.937270D+01
      2  -0.495286D+01 -0.114229D+01 -0.228648D+01 -0.411502D+01 -0.104432D+01
      3  -0.427576D+01  0.130880D+01 -0.157433D+01 -0.103117D+02 -0.832837D+01
      4  -0.679090D+01  0.270054D+01 -0.314907D+01  0.143250D+02  0.174434D+02
      5   0.589082D+01 -0.939249D+00  0.164377D+01 -0.194533D+00 -0.770830D-01
      6  -0.350999D+01  0.148114D+01 -0.216714D+00  0.120307D+00  0.100098D+01
               156           157           158           159           160 
      1  -0.124739D+01  0.236786D+02  0.103307D+02  0.337663D+00 -0.324463D+01
      2   0.658623D-01 -0.763357D+01  0.668222D+01 -0.151770D+01  0.131018D+01
      3   0.118153D+01 -0.160451D+02 -0.170129D+02  0.118003D+01  0.193444D+01
      4  -0.540873D+00  0.268184D+02  0.391802D+02 -0.179219D+01 -0.342302D+01
      5   0.445095D+01  0.447784D+00 -0.219084D+01  0.722050D+01  0.398154D+01
      6   0.192711D+01  0.127110D+01  0.104364D+01  0.263404D+01  0.158710D+01
               161           162           163           164           165 
      1  -0.119337D+01  0.163650D+01 -0.609475D+01  0.174322D+02  0.368071D+00
      2  -0.749238D+00 -0.339535D+00  0.102143D+02 -0.278807D+02 -0.989747D+00
      3   0.194261D+01 -0.129697D+01 -0.411958D+01  0.104484D+02  0.621676D+00
      4  -0.495043D+01  0.362173D+01 -0.102241D+02  0.629620D+01  0.133004D+01
      5   0.366651D+01  0.184157D+00  0.399317D+00 -0.903889D+00 -0.121757D+01
      6   0.266426D+01 -0.716134D+00  0.160650D+01 -0.602060D+00 -0.343525D+01
               166           167           168           169           170 
      1   0.885884D+01 -0.278940D+02 -0.663140D+00  0.995838D+00 -0.386844D+01
      2  -0.132394D+02  0.470493D+02  0.207235D+01 -0.170772D+01  0.574513D+01
      3   0.438057D+01 -0.191553D+02 -0.140921D+01  0.711879D+00 -0.187670D+01
      4   0.988386D+01 -0.639269D+01 -0.563645D+00  0.166711D+01 -0.118635D+01
      5  -0.770579D+00  0.957388D+00  0.526974D+00  0.806688D+00  0.331033D-01
      6  -0.798127D+00  0.910243D+00  0.712557D+01 -0.186742D+01  0.523163D+01
               171           172           173           174           175 
      1  -0.271229D+01  0.677501D+02 -0.906375D+01 -0.743580D+01 -0.979915D+01
      2   0.360996D+01 -0.356465D+02 -0.296986D+01  0.696182D+01  0.752263D+00
      3  -0.897672D+00 -0.321036D+02  0.120336D+02  0.473971D+00  0.904689D+01
      4  -0.110831D+01 -0.259304D+02  0.332374D+02  0.533742D+00  0.346122D+02
      5  -0.852463D+00 -0.106800D+02 -0.206592D+00  0.157254D+02  0.109050D+01
      6   0.245345D+00  0.885193D+00 -0.554560D+00 -0.546912D+01 -0.390015D+00
               176           177           178           179           180 
      1   0.287938D+02 -0.517332D+01 -0.181682D+02  0.824153D+00  0.634787D+01
      2  -0.162066D+02  0.819104D+00  0.989423D+01  0.233952D+01 -0.122360D+02
      3  -0.125872D+02  0.435422D+01  0.827398D+01 -0.316367D+01  0.588817D+01
      4   0.482212D+01 -0.533442D+01  0.771622D+01 -0.114344D+02 -0.562339D+01
      5  -0.694422D+01 -0.959931D-01  0.208550D+02 -0.608530D+01 -0.664913D+01
      6   0.323630D+01  0.981893D+01 -0.391757D+01  0.666957D+01  0.410327D+01
               181           182           183           184           185 
      1  -0.167356D+01  0.162164D+01  0.859862D+01 -0.242648D+01  0.470188D+00
      2  -0.186940D+01 -0.446967D+00 -0.407978D+01  0.198740D+01 -0.153783D+01
      3   0.354296D+01 -0.117467D+01 -0.451883D+01  0.439081D+00  0.106764D+01
      4   0.117786D+01  0.374484D+01 -0.289469D+00  0.616530D+01  0.314256D+01
      5   0.676771D+01 -0.298723D+00  0.477272D+01 -0.100606D+00  0.544996D+01
      6  -0.103742D-01 -0.816424D+00 -0.526186D+00  0.465781D+00  0.873753D+00
               186           187           188           189           190 
      1  -0.134750D+01  0.122070D+02 -0.468816D+01 -0.155724D+02  0.198141D+02
      2   0.412853D+00 -0.951940D+01  0.376640D+00 -0.200368D+02 -0.692952D+01
      3   0.934642D+00 -0.268759D+01  0.431152D+01  0.356092D+02 -0.128846D+02
      4   0.559803D+01  0.103145D+00  0.931958D+01  0.924688D+01  0.182011D+02
      5  -0.657647D+00  0.139299D+02  0.713278D+01  0.538424D+02 -0.500389D+01
      6   0.641385D+01  0.915855D+00  0.659894D+01  0.478411D+01 -0.111956D+01
               191           192           193           194           195 
      1   0.129453D+02 -0.499762D+01  0.190159D+02  0.930084D+01 -0.714314D+00
      2  -0.365406D+01  0.180552D+01 -0.606405D+01  0.756275D+01 -0.151833D+01
      3  -0.929122D+01  0.319210D+01 -0.129519D+02 -0.168636D+02  0.223264D+01
      4   0.207879D+02 -0.233517D+01  0.248853D+02  0.420596D+02 -0.614088D+01
      5  -0.170289D+01  0.586482D+01 -0.171336D+01 -0.558611D+01  0.725420D+01
      6  -0.504414D+00  0.198744D+01 -0.435491D+00 -0.207259D+01  0.409499D+01
               196           197           198           199           200 
      1  -0.100390D+02 -0.159832D+01  0.204694D+01 -0.181911D+01  0.197927D+01
      2   0.448909D+01 -0.774523D+00 -0.244163D+01  0.917974D+00 -0.185185D+01
      3   0.554993D+01  0.237284D+01  0.394696D+00  0.901134D+00 -0.127417D+00
      4  -0.425858D+01 -0.111690D+02  0.758260D+01  0.206098D+00  0.192602D+01
      5   0.726230D+01  0.772994D+01 -0.172150D+01 -0.698598D-01 -0.439049D+00
      6   0.211844D+01  0.425230D+01 -0.249790D+01 -0.256286D+01  0.160559D+01
               201           202           203           204           205 
      1  -0.213422D+01  0.112377D+01 -0.507095D+01  0.279182D+01 -0.249600D+01
      2   0.100150D+01 -0.675355D+00  0.730018D+01 -0.476908D+01  0.246798D+00
      3   0.113272D+01 -0.448412D+00 -0.222923D+01  0.197726D+01  0.224921D+01
      4  -0.262067D+01  0.257684D+01  0.140213D+01 -0.105793D+01 -0.740820D+01
      5   0.377401D+00 -0.133239D+00 -0.103719D+01  0.165402D+01  0.201939D+01
      6  -0.439039D+01 -0.990756D-01 -0.483489D+01  0.657124D+01 -0.475341D-01
               206           207           208           209           210 
      1   0.137756D+02 -0.162245D+02 -0.110815D+02 -0.833037D+01  0.181147D+01
      2  -0.160829D+02  0.558059D+01  0.752113D+01  0.840431D+01 -0.891547D+00
      3   0.230732D+01  0.106439D+02  0.356038D+01 -0.739400D-01 -0.919927D+00
      4  -0.554787D+01  0.244731D+01  0.827332D+00 -0.105657D+02  0.112618D+00
      5   0.414968D+01 -0.109690D+02  0.131705D+01  0.109037D+01 -0.230132D+01
      6   0.176375D+02 -0.389379D+02 -0.627995D+00 -0.655857D+00  0.264007D+00
               211           212           213           214           215 
      1  -0.201904D+02 -0.165492D+02  0.218558D+01  0.332654D+01  0.261074D+01
      2   0.119658D+02  0.242136D+02 -0.264901D+01 -0.195443D+01 -0.286648D+01
      3   0.822464D+01 -0.766440D+01  0.463434D+00 -0.137211D+01  0.255745D+00
      4   0.358848D+01 -0.373125D+02  0.149638D+01 -0.213150D+00  0.492535D+01
      5   0.216606D+01  0.267820D+01 -0.902891D+01  0.111540D+01 -0.336180D+01
      6  -0.406808D-01 -0.123471D+01  0.335846D+01  0.423936D+00  0.340970D+01
               216 
      1  -0.140749D+01
      2   0.149229D+01
      3  -0.848006D-01
      4  -0.270288D+01
      5  -0.387817D+00
      6  -0.664506D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.158142D+01      0.401956D+01      0.134078D+02
   x         -0.136238D+01     -0.346281D+01     -0.115507D+02
   y         -0.336885D+00     -0.856277D+00     -0.285623D+01
   z          0.728916D+00      0.185272D+01      0.618001D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119515D+03      0.177102D+02      0.197053D+02
   aniso      0.175290D+02      0.259753D+01      0.289014D+01
   xx         0.126081D+03      0.186833D+02      0.207879D+02
   yx         0.298280D+01      0.442005D+00      0.491797D+00
   yy         0.124041D+03      0.183810D+02      0.204516D+02
   zx         0.951037D-01      0.140929D-01      0.156805D-01
   zy        -0.432297D+00     -0.640598D-01     -0.712761D-01
   zz         0.108422D+03      0.160664D+02      0.178763D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111861D+03      0.165762D+02      0.184435D+02
   aniso      0.222579D+02      0.329828D+01      0.366983D+01
   xx         0.121395D+03      0.179888D+02      0.200153D+02
   yx         0.157672D+01      0.233645D+00      0.259966D+00
   yy         0.116809D+03      0.173093D+02      0.192592D+02
   zx         0.245995D+00      0.364528D-01      0.405592D-01
   zy        -0.270481D+00     -0.400812D-01     -0.445963D-01
   zz         0.973811D+02      0.144304D+02      0.160560D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.60782697          2.02650667          1.20760356
     6         -1.02587071         -0.21894426          2.89061106
     6          0.41047883          2.31908190         -0.81472155
     6          0.71681159         -0.16453496         -2.24898687
     8          1.26567819         -2.16881965         -0.50770638
     6         -0.66471664         -2.59285612          1.28506659
     8         -1.70609045          4.33044446          2.58481217
     1         -3.42848351          1.68811748          0.27067657
     8         -3.06460931         -0.49254035          4.60838909
     1          0.74902234          0.14366959          3.90789047
     1          2.20781166          2.78112607          0.11531485
     8         -0.25163411          4.22608296         -2.57178397
     6          2.87204745         -0.12328117         -4.13338728
     1         -1.04729331         -0.59506347         -3.25075715
     8         -0.00890515         -4.67834573          2.76239493
     1         -2.44372876         -3.09413628          0.34854825
     1         -2.95042404          4.14236969          3.90351892
     1         -2.81082645         -2.03505958          5.54750065
     1         -0.74554963          5.69687945         -1.61242017
     8          3.05037122         -2.42708560         -5.48131900
     1          4.63551927          0.29522258         -3.12326499
     1          2.54125979          1.36881718         -5.50962454
     1          1.69183476         -4.41587995          3.37652689
     1          3.11682880         -3.76977784         -4.24933198

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.158142D+01      0.401956D+01      0.134078D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.158142D+01      0.401956D+01      0.134078D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119515D+03      0.177102D+02      0.197053D+02
   aniso      0.175290D+02      0.259753D+01      0.289014D+01
   xx         0.112748D+03      0.167075D+02      0.185897D+02
   yx        -0.187317D+01     -0.277575D+00     -0.308844D+00
   yy         0.122455D+03      0.181459D+02      0.201900D+02
   zx        -0.700128D+01     -0.103748D+01     -0.115435D+01
   zy        -0.391931D+01     -0.580782D+00     -0.646207D+00
   zz         0.123341D+03      0.182772D+02      0.203361D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111861D+03      0.165762D+02      0.184435D+02
   aniso      0.222579D+02      0.329828D+01      0.366983D+01
   xx         0.103572D+03      0.153478D+02      0.170768D+02
   yx        -0.329168D+01     -0.487777D+00     -0.542725D+00
   yy         0.115491D+03      0.171140D+02      0.190419D+02
   zx        -0.971417D+01     -0.143949D+01     -0.160165D+01
   zy        -0.285319D+01     -0.422800D+00     -0.470428D+00
   zz         0.116521D+03      0.172667D+02      0.192117D+02

 ----------------------------------------------------------------------
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 A MAN SHOULD NEVER BE ASHAMED TO OWN HE HAS BEEN IN THE WRONG
 WHICH IS BUT SAYING IN OTHER WORDS,
 THAT HE IS WISER TODAY THAN HE WAS YESTERDAY.

                          -- JONATHAN SWIFT
 Job cpu time:       0 days  2 hours 52 minutes 46.3 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 41.1 seconds.
 File lengths (MBytes):  RWF=    399 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:35:35 2022.
